#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 -3.23 1.47 0.31 -1.26 -5.13 118.33 110.49 3h90 n VAL 9 Ca 0.00 -0.97 -0.13 0.00 -0.01 0.00 0.00 64.34 63.23 3h90 n VAL 9 Cb 0.00 -1.30 0.03 0.00 -0.91 0.00 0.00 33.84 31.66 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 -3.25 1.55 0.00 4.52 3.41 -1.26 -4.95 113.62 113.64 3h90 n SER 10 Ca 0.12 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3h90 n SER 10 Cb 0.44 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.07 116.66 123.26 3h90 n ARG 11 Ca 0.07 0.10 0.09 0.00 -1.93 0.00 0.00 57.85 56.18 3h90 n ARG 11 Cb 0.38 -1.51 0.50 0.00 -1.16 0.00 0.00 32.46 30.67 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 2.12 -0.33 7.54 0.00 -1.26 -2.20 120.51 125.32 3h90 n ALA 12 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 3h90 n ALA 12 Cb 0.01 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 3.05 1.30 -0.18 0.00 0.00 -0.73 -2.47 119.26 120.23 3h90 h ALA 13 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3h90 h ALA 13 Cb 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.44 3h90 h ALA 13 CO 0.00 0.63 -0.62 -0.84 0.00 0.00 0.00 179.25 178.42 3h90 h ILE 14 N 1.27 1.30 -0.92 0.00 3.07 -1.69 -2.65 117.51 117.89 3h90 h ILE 14 Ca 0.34 -1.84 0.26 0.00 1.55 0.00 0.00 64.86 65.17 3h90 h ILE 14 Cb -0.11 1.94 -0.15 0.00 -0.27 0.00 0.00 36.82 38.22 3h90 h ILE 14 CO -0.07 0.58 0.23 0.00 -1.05 0.00 0.00 178.15 177.84 3h90 h ALA 15 N 0.56 1.36 -0.58 0.16 0.00 -1.63 -2.09 119.26 117.04 3h90 h ALA 15 Ca -0.03 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3h90 h ALA 15 Cb 1.24 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3h90 h ALA 15 CO 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 179.25 178.83 3h90 h ALA 16 N 1.84 0.87 -0.35 0.00 0.00 -1.08 -2.94 119.26 117.60 3h90 h ALA 16 Ca 0.59 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3h90 h ALA 16 Cb 1.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3h90 h ALA 16 CO -0.72 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.26 3h90 h THR 17 N 0.93 1.17 -0.96 0.00 1.03 -1.23 -2.49 112.91 111.36 3h90 h THR 17 Ca 0.17 -0.61 0.10 0.00 -0.01 0.00 0.00 66.41 66.06 3h90 h THR 17 Cb 0.56 0.83 -0.08 0.00 -1.07 0.00 0.00 68.15 68.39 3h90 h THR 17 CO 0.03 0.22 0.60 0.00 -0.01 0.00 0.00 175.52 176.36 3h90 h ALA 18 N 1.58 1.41 0.00 0.00 0.00 -1.32 0.16 119.26 121.09 3h90 h ALA 18 Ca 0.12 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3h90 h ALA 18 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h90 h ALA 18 CO -0.00 0.24 -0.87 0.52 0.00 0.00 0.00 179.25 179.14 3h90 h MET 19 N 0.98 0.01 -0.05 0.00 2.86 -1.62 -3.09 114.93 114.03 3h90 h MET 19 Ca 0.46 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.10 3h90 h MET 19 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3h90 h MET 19 CO -0.24 0.87 0.04 0.00 1.06 0.00 0.00 176.91 178.63 3h90 h ALA 20 N 1.13 1.92 -0.23 6.32 0.00 -0.39 0.65 119.26 128.65 3h90 h ALA 20 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3h90 h ALA 20 Cb 1.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3h90 h ALA 20 CO 0.11 -0.07 -0.43 1.03 0.00 0.00 0.00 179.25 179.90 3h90 h SER 21 N 0.00 0.61 0.00 0.00 0.87 -0.74 -2.55 113.55 111.73 3h90 h SER 21 Ca 0.02 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3h90 h SER 21 Cb 0.10 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3h90 h SER 21 CO -0.00 0.96 0.00 0.18 -0.53 0.00 0.00 176.83 177.44 3h90 n LEU 22 N -4.02 0.00 0.08 2.23 4.32 0.20 -2.24 117.00 117.58 3h90 n LEU 22 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.01 3h90 n LEU 22 Cb 0.53 0.00 0.46 0.00 -1.62 0.00 0.00 43.42 42.79 3h90 n LEU 22 CO 0.45 0.00 1.07 0.25 -1.22 0.00 0.00 177.39 177.94 3h90 h LEU 23 N 0.00 0.31 0.00 2.23 7.12 -0.52 -1.40 115.31 123.06 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 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.05 3h90 h LEU 23 CO 0.00 0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.60 3h90 n LEU 24 N -4.43 0.00 -0.35 2.25 -0.00 -0.95 -1.49 117.00 112.03 3h90 n LEU 24 Ca 0.01 0.05 0.01 0.00 -0.00 0.00 0.00 56.01 56.08 3h90 n LEU 24 Cb 0.12 -0.05 0.15 0.00 -0.00 0.00 0.00 43.42 43.64 3h90 n LEU 24 CO 0.36 -0.03 1.25 -0.07 -0.00 0.00 0.00 177.39 178.90 3h90 h LEU 25 N 0.00 1.01 -0.88 1.47 -0.00 -1.47 -1.73 115.31 113.70 3h90 h LEU 25 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 3h90 h LEU 25 Cb 0.02 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 3h90 h LEU 25 CO 0.00 0.67 -0.41 0.16 -0.00 0.00 0.00 178.44 178.86 3h90 h ILE 26 N 1.16 0.96 -0.08 1.22 3.07 -1.48 -2.94 117.51 119.42 3h90 h ILE 26 Ca 0.40 -1.62 -0.11 0.00 1.55 0.00 0.00 64.86 65.07 3h90 h ILE 26 Cb 0.08 1.97 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 3h90 h ILE 26 CO -0.15 0.40 -0.45 0.50 -1.05 0.00 0.00 178.15 177.41 3h90 h LYS 27 N 0.00 0.18 0.00 0.16 3.64 -1.51 0.85 116.57 119.90 3h90 h LYS 27 Ca -0.00 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3h90 h LYS 27 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3h90 h LYS 27 CO 0.05 0.60 -0.42 0.97 -2.27 0.00 0.00 179.45 178.38 3h90 h ILE 28 N 0.15 1.30 0.00 2.00 -0.00 -1.17 -2.53 117.51 117.26 3h90 h ILE 28 Ca 0.01 -1.45 -0.12 0.00 -0.00 0.00 0.00 64.86 63.30 3h90 h ILE 28 Cb 0.85 1.78 -0.02 0.00 -0.00 0.00 0.00 36.82 39.43 3h90 h ILE 28 CO 0.07 0.41 -0.87 0.15 -0.00 0.00 0.00 178.15 177.91 3h90 h PHE 29 N 0.00 0.00 0.00 2.19 3.57 -1.24 -3.22 116.94 118.24 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 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3h90 h PHE 29 CO 0.00 0.50 0.00 0.00 -2.23 0.00 0.00 178.31 176.58 3h90 n ALA 30 N -2.29 2.38 -2.28 2.41 0.00 0.29 -4.65 120.51 116.36 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 0.77 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.09 3.10 -0.10 0.00 -0.00 -1.13 -4.93 118.94 114.80 3h90 s TRP 31 Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 56.10 56.08 3h90 s TRP 31 Cb 0.00 -2.31 0.05 0.00 -0.00 0.00 0.00 33.47 31.20 3h90 s TRP 31 CO 0.00 -0.37 0.24 -1.58 -0.00 0.00 0.00 176.95 175.24 3h90 s TRP 32 N -2.48 -0.32 0.00 1.66 0.23 -1.26 -4.97 118.94 111.80 3h90 s TRP 32 Ca 0.49 0.77 0.00 0.00 -2.03 0.00 0.00 56.10 55.33 3h90 s TRP 32 Cb -0.10 0.03 0.00 0.00 0.03 0.00 0.00 33.47 33.43 3h90 s TRP 32 CO 0.36 -0.23 0.00 0.98 0.96 0.00 0.00 176.95 179.02 3h90 n TYR 33 N 4.27 0.00 0.13 -1.98 4.19 -1.25 -4.31 117.16 118.21 3h90 n TYR 33 Ca -0.25 0.00 0.02 0.00 3.31 0.00 0.00 57.90 60.99 3h90 n TYR 33 Cb 0.53 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 0.81 -0.01 2.97 2.02 -1.96 -2.69 112.91 114.05 3h90 h THR 34 Ca 0.00 -2.18 -0.01 0.00 0.77 0.00 0.00 66.41 64.99 3h90 h THR 34 Cb 0.86 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3h90 h THR 34 CO 0.00 0.46 -0.04 1.23 0.37 0.00 0.00 175.52 177.54 3h90 h GLY 35 N 3.53 0.06 -6.53 2.16 0.00 -1.93 -3.44 103.07 96.91 3h90 h GLY 35 Ca -0.02 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 47.00 3h90 h GLY 35 CO 0.06 0.07 -0.54 -0.56 0.00 0.00 0.00 176.54 175.57 3h90 s SER 36 N -5.92 0.35 -1.14 0.19 0.01 -1.24 -5.09 113.70 100.87 3h90 s SER 36 Ca -0.16 0.54 -0.23 0.00 1.31 0.00 0.00 55.95 57.41 3h90 s SER 36 Cb 0.01 0.60 -0.07 0.00 0.21 0.00 0.00 66.02 66.77 3h90 s SER 36 CO 0.69 -0.23 1.92 0.54 0.41 0.00 0.00 173.24 176.57 3h90 s VAL 37 N 2.27 3.57 -0.13 3.43 0.11 -1.01 -3.80 120.40 124.84 3h90 s VAL 37 Ca 0.00 -0.89 -0.21 0.00 -2.93 0.00 0.00 61.98 57.95 3h90 s VAL 37 Cb -0.12 -4.52 0.05 0.00 -1.53 0.00 0.00 36.38 30.26 3h90 s VAL 37 CO -0.08 -1.07 0.54 -0.55 -3.33 0.00 0.00 175.10 170.61 3h90 s SER 38 N 6.58 -0.52 -0.02 3.54 0.15 -1.26 -5.09 113.70 117.08 3h90 s SER 38 Ca 0.67 0.81 0.02 0.00 0.70 0.00 0.00 55.95 58.15 3h90 s SER 38 Cb -0.01 0.82 0.01 0.00 -1.71 0.00 0.00 66.02 65.12 3h90 s SER 38 CO 0.10 -0.35 -0.05 -0.63 1.20 0.00 0.00 173.24 173.51 3h90 s ILE 39 N -0.41 0.50 0.02 6.45 1.01 -1.26 -4.60 121.20 122.91 3h90 s ILE 39 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3h90 s ILE 39 Cb -0.03 -0.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 3h90 s ILE 39 CO 0.04 0.18 0.00 -0.11 0.00 0.00 0.00 174.94 175.05 3h90 n LEU 40 N 3.47 0.00 0.01 2.97 7.94 -1.26 -5.09 117.00 125.03 3h90 n LEU 40 Ca -0.19 -0.15 -0.03 0.00 -1.11 0.00 0.00 56.01 54.53 3h90 n LEU 40 Cb 0.54 0.03 -0.11 0.00 0.53 0.00 0.00 43.42 44.42 3h90 n LEU 40 CO 0.24 -0.02 -0.41 0.00 -1.11 0.00 0.00 177.39 176.09 3h90 n ALA 41 N -2.92 1.80 0.82 1.96 0.00 -1.26 -4.35 120.51 116.55 3h90 n ALA 41 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3h90 n ALA 41 Cb 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.46 2.29 0.33 0.00 0.00 -1.26 -2.00 120.51 117.41 3h90 n ALA 42 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.40 3h90 n ALA 42 Cb 0.91 -1.00 -0.12 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 0.45 0.33 -0.11 0.00 -0.00 -1.26 -4.21 117.00 112.20 3h90 n LEU 43 Ca 0.00 -0.21 -0.17 0.00 -0.00 0.00 0.00 56.01 55.63 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 0.08 -1.27 0.52 -0.00 0.00 0.00 177.39 176.73 3h90 n VAL 44 N -1.81 1.51 -0.31 1.47 0.31 -0.85 -2.87 118.33 115.78 3h90 n VAL 44 Ca -0.01 -0.61 0.08 0.00 -0.01 0.00 0.00 64.34 63.79 3h90 n VAL 44 Cb 0.37 -1.35 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 0.01 0.83 0.25 4.52 3.58 -1.80 0.51 116.42 124.31 3h90 h ASP 45 Ca -0.56 0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.93 3h90 h ASP 45 Cb 1.95 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.87 3h90 h ASP 45 CO -0.06 0.46 -0.18 -1.54 -2.88 0.00 0.00 179.24 175.03 3h90 n SER 46 N -4.57 0.90 0.01 2.28 3.41 -1.26 -1.74 113.62 112.65 3h90 n SER 46 Ca 0.17 -0.86 -0.17 0.00 -0.26 0.00 0.00 58.87 57.76 3h90 n SER 46 Cb 0.35 0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.22 3h90 n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3h90 h LEU 47 N 1.12 0.28 -0.36 1.04 5.85 -0.94 -3.22 115.31 119.08 3h90 h LEU 47 Ca 0.00 -0.59 0.03 0.00 0.84 0.00 0.00 57.88 58.16 3h90 h LEU 47 Cb 0.46 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3h90 h LEU 47 CO 0.00 1.52 0.15 0.58 -0.34 0.00 0.00 178.44 180.36 3h90 h VAL 48 N 0.05 0.94 -0.49 1.05 2.07 -0.07 -3.09 116.25 116.71 3h90 h VAL 48 Ca -0.35 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.15 3h90 h VAL 48 Cb 2.03 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 3h90 h VAL 48 CO 0.10 0.06 -0.01 0.44 0.02 0.00 0.00 177.57 178.18 3h90 h ASP 49 N 0.32 -0.23 -0.10 0.57 5.19 -1.45 0.12 116.42 120.84 3h90 h ASP 49 Ca 0.16 0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.73 3h90 h ASP 49 Cb 0.10 0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.77 3h90 h ASP 49 CO -0.14 -0.08 -0.31 0.40 -3.12 0.00 0.00 179.24 176.00 3h90 h ILE 50 N 0.11 0.31 0.56 0.35 2.04 -1.55 -0.57 117.51 118.76 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 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3h90 h ILE 50 CO -0.41 0.00 -0.29 1.23 0.00 0.00 0.00 178.15 178.67 3h90 h GLY 51 N -0.40 -0.88 -0.44 5.37 0.00 -1.30 -0.32 103.07 105.09 3h90 h GLY 51 Ca 0.09 0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.80 3h90 h GLY 51 CO -0.33 -0.31 -0.39 0.00 0.00 0.00 0.00 176.54 175.51 3h90 h ALA 52 N -1.57 -0.53 0.00 3.60 0.00 -0.76 0.11 119.26 120.12 3h90 h ALA 52 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h90 h ALA 52 Cb 0.61 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3h90 h ALA 52 CO 0.11 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 177.48 3h90 n SER 53 N -4.52 0.00 -0.03 0.00 3.41 -0.23 -1.23 113.62 111.02 3h90 n SER 53 Ca -0.01 0.33 -0.15 0.00 -0.26 0.00 0.00 58.87 58.78 3h90 n SER 53 Cb 0.21 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.29 -0.39 1.04 5.85 0.00 -2.34 115.31 119.76 3h90 h LEU 54 Ca 0.00 -0.71 0.08 0.00 0.84 0.00 0.00 57.88 58.09 3h90 h LEU 54 Cb 0.40 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 3h90 h LEU 54 CO 0.00 0.96 -0.21 0.74 -0.34 0.00 0.00 178.44 179.58 3h90 h THR 55 N -0.35 0.39 -0.87 1.05 2.02 -0.29 -1.87 112.91 113.00 3h90 h THR 55 Ca -0.03 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.30 3h90 h THR 55 Cb 0.97 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 3h90 h THR 55 CO 0.06 0.00 0.46 -1.13 0.37 0.00 0.00 175.52 175.27 3h90 h ASN 56 N -0.15 0.57 -0.45 4.18 -1.24 -1.20 0.55 115.58 117.84 3h90 h ASN 56 Ca 0.19 0.09 0.03 0.00 0.71 0.00 0.00 56.30 57.32 3h90 h ASN 56 Cb 0.44 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 3h90 h ASN 56 CO -0.48 0.24 0.24 0.25 -1.29 0.00 0.00 177.43 176.40 3h90 h LEU 57 N 0.65 0.37 -0.56 0.34 5.85 -0.79 -0.93 115.31 120.24 3h90 h LEU 57 Ca 0.47 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.20 3h90 h LEU 57 Cb 0.66 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3h90 h LEU 57 CO -0.36 0.26 0.33 -0.07 -0.34 0.00 0.00 178.44 178.27 3h90 h LEU 58 N 0.48 0.68 -0.74 2.25 3.38 -0.47 -1.57 115.31 119.32 3h90 h LEU 58 Ca 0.19 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3h90 h LEU 58 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3h90 h LEU 58 CO -0.12 0.55 0.20 0.58 0.09 0.00 0.00 178.44 179.74 3h90 h VAL 59 N 0.76 1.26 -0.46 1.22 2.07 -0.63 -0.66 116.25 119.81 3h90 h VAL 59 Ca 0.20 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 3h90 h VAL 59 Cb -0.00 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3h90 h VAL 59 CO -0.04 0.37 -0.16 -0.37 0.02 0.00 0.00 177.57 177.39 3h90 h VAL 60 N 1.10 1.27 -0.56 2.57 -1.51 -1.08 0.13 116.25 118.17 3h90 h VAL 60 Ca 0.23 -1.31 0.04 0.00 -1.23 0.00 0.00 66.70 64.43 3h90 h VAL 60 Cb 0.34 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 3h90 h VAL 60 CO -0.00 0.45 0.37 -0.09 -1.23 0.00 0.00 177.57 177.07 3h90 h ARG 61 N 0.76 0.61 -0.29 5.19 2.43 -0.93 0.21 114.38 122.36 3h90 h ARG 61 Ca 0.11 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3h90 h ARG 61 Cb 0.73 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3h90 h ARG 61 CO 0.06 0.40 -0.17 -0.92 -1.51 0.00 0.00 179.97 177.82 3h90 h TYR 62 N 0.63 0.73 -0.77 2.20 5.03 -0.86 -3.21 116.97 120.71 3h90 h TYR 62 Ca 0.23 -0.19 0.14 0.00 2.58 0.00 0.00 58.73 61.48 3h90 h TYR 62 Cb 0.13 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.19 3h90 h TYR 62 CO -0.00 0.88 0.51 1.03 -1.32 0.00 0.00 178.16 179.26 3h90 h SER 63 N 0.37 0.47 0.82 -2.11 0.87 0.21 -2.59 113.55 111.59 3h90 h SER 63 Ca 0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3h90 h SER 63 Cb 0.71 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3h90 h SER 63 CO 0.05 0.25 -0.06 0.18 -0.53 0.00 0.00 176.83 176.72 3h90 n LEU 64 N -4.50 0.09 -4.76 2.23 7.99 0.43 -3.92 117.00 114.55 3h90 n LEU 64 Ca 0.14 0.37 -0.39 0.00 -0.01 0.00 0.00 56.01 56.12 3h90 n LEU 64 Cb 0.48 -0.41 0.01 0.00 -0.11 0.00 0.00 43.42 43.39 3h90 n LEU 64 CO 0.32 0.02 1.00 -1.10 -1.51 0.00 0.00 177.39 176.12 3h90 s GLN 65 N -2.89 3.67 0.97 3.23 -0.21 -0.98 -5.02 119.66 118.43 3h90 s GLN 65 Ca 0.17 2.25 -0.16 0.00 0.02 0.00 0.00 55.36 57.65 3h90 s GLN 65 Cb 0.19 -2.59 0.21 0.00 1.00 0.00 0.00 33.01 31.82 3h90 s GLN 65 CO 0.53 -0.77 1.33 -2.14 -2.12 0.00 0.00 175.29 172.12 3h90 s PRO 66 N -2.49 0.54 0.10 2.91 0.02 -1.26 -4.22 135.00 130.59 3h90 s PRO 66 Ca 0.62 -0.48 -0.35 0.00 0.02 0.00 0.00 61.00 60.80 3h90 s PRO 66 Cb -0.40 -1.85 -0.18 0.00 0.02 0.00 0.00 34.50 32.09 3h90 s PRO 66 CO 0.51 -2.47 1.04 0.00 -0.33 0.00 0.00 177.00 175.75 3h90 n ALA 67 N -3.79 -2.32 -3.25 -1.55 0.00 -1.26 -4.84 120.51 103.49 3h90 n ALA 67 Ca 0.16 0.52 -0.05 0.00 0.00 0.00 0.00 53.44 54.07 3h90 n ALA 67 Cb 0.59 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 1.88 0.81 0.04 0.00 2.03 0.13 -5.00 116.55 116.44 3h90 n ASP 68 Ca 0.18 -1.33 -0.19 0.00 0.52 0.00 0.00 54.79 53.97 3h90 n ASP 68 Cb 0.17 -0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.07 0.45 -0.42 1.67 -0.00 -1.99 -3.38 116.42 112.82 3h90 h ASP 69 Ca -0.06 -0.93 0.00 0.00 -0.00 0.00 0.00 57.03 56.04 3h90 h ASP 69 Cb 0.24 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 3h90 h ASP 69 CO 0.09 1.35 0.00 -0.46 -0.00 0.00 0.00 179.24 180.21 3h90 n ASN 70 N -4.16 3.67 -3.73 2.28 0.23 -1.26 -4.49 115.26 107.80 3h90 n ASN 70 Ca -0.13 -2.36 -0.28 0.00 -0.53 0.00 0.00 54.58 51.28 3h90 n ASN 70 Cb 0.78 -0.41 -0.11 0.00 -2.08 0.00 0.00 39.78 37.96 3h90 n ASN 70 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3h90 n HIS 71 N 0.47 1.87 0.42 -2.53 8.25 -1.26 -4.97 115.22 117.47 3h90 n HIS 71 Ca 0.18 -3.98 0.13 0.00 -0.26 0.00 0.00 57.72 53.79 3h90 n HIS 71 Cb 0.67 -0.33 0.37 0.00 1.12 0.00 0.00 29.99 31.81 3h90 n HIS 71 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3h90 h SER 72 N 5.45 0.00 -1.31 0.41 4.64 -1.79 0.40 113.55 121.36 3h90 h SER 72 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3h90 h SER 72 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3h90 h SER 72 CO 0.60 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 177.05 3h90 n PHE 73 N -2.64 0.00 -0.22 4.77 3.72 -1.26 -4.83 117.46 117.00 3h90 n PHE 73 Ca 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.43 3h90 n PHE 73 Cb 0.42 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.97 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 -3.17 0.29 1.37 0.00 -1.26 -4.53 105.19 102.89 3h90 n GLY 74 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.83 0.22 -0.08 1.61 8.25 -1.26 -4.86 115.22 116.26 3h90 n HIS 75 Ca 0.00 -0.52 -0.10 0.00 -0.26 0.00 0.00 57.72 56.84 3h90 n HIS 75 Cb 0.01 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 0.90 -0.49 -1.44 -1.41 0.00 -1.81 -1.63 103.07 97.19 3h90 h GLY 76 Ca 0.00 0.49 0.45 0.00 0.00 0.00 0.00 47.33 48.27 3h90 h GLY 76 CO 0.01 -0.20 1.29 0.50 0.00 0.00 0.00 176.54 178.13 3h90 h LYS 77 N -0.35 0.00 -0.96 4.80 1.79 -1.91 0.44 116.57 120.38 3h90 h LYS 77 Ca 0.13 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.86 3h90 h LYS 77 Cb 0.58 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.09 3h90 h LYS 77 CO -0.50 0.00 0.49 0.00 -1.08 0.00 0.00 179.45 178.36 3h90 h ALA 78 N 0.88 1.68 0.27 3.86 0.00 -1.66 0.64 119.26 124.93 3h90 h ALA 78 Ca 0.74 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.81 3h90 h ALA 78 Cb 3.30 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 21.21 3h90 h ALA 78 CO -0.01 -0.41 -0.22 0.93 0.00 0.00 0.00 179.25 179.55 3h90 h GLU 79 N 0.41 -0.48 -0.75 0.00 5.08 -1.12 0.13 114.58 117.85 3h90 h GLU 79 Ca 0.64 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 3h90 h GLU 79 Cb 1.31 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 3h90 h GLU 79 CO -0.55 -0.32 0.47 0.77 -1.00 0.00 0.00 179.01 178.37 3h90 h SER 80 N -0.50 0.88 0.59 1.42 0.02 -1.19 0.56 113.55 115.33 3h90 h SER 80 Ca -0.01 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3h90 h SER 80 Cb 0.44 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3h90 h SER 80 CO -0.02 0.66 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.87 3h90 h LEU 81 N 1.02 -1.02 -1.00 5.07 4.07 -0.83 0.84 115.31 123.46 3h90 h LEU 81 Ca 0.27 0.06 0.19 0.00 0.08 0.00 0.00 57.88 58.49 3h90 h LEU 81 Cb -0.07 0.31 -0.11 0.00 1.08 0.00 0.00 40.66 41.87 3h90 h LEU 81 CO -0.05 -0.60 0.60 0.00 -1.08 0.00 0.00 178.44 177.31 3h90 h ALA 82 N -0.65 1.66 0.67 1.53 0.00 0.48 0.43 119.26 123.38 3h90 h ALA 82 Ca -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h90 h ALA 82 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3h90 h ALA 82 CO 0.05 -0.07 -0.35 0.00 0.00 0.00 0.00 179.25 178.88 3h90 h ALA 83 N 1.65 -1.23 -0.98 0.00 0.00 0.22 -1.98 119.26 116.95 3h90 h ALA 83 Ca 0.58 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.47 3h90 h ALA 83 Cb 0.92 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 3h90 h ALA 83 CO -0.39 -1.17 0.61 1.25 0.00 0.00 0.00 179.25 179.55 3h90 h LEU 84 N -0.93 0.72 0.20 0.00 5.85 0.13 0.51 115.31 121.79 3h90 h LEU 84 Ca -0.09 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3h90 h LEU 84 Cb 0.72 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3h90 h LEU 84 CO 0.13 0.30 -0.30 0.00 -0.34 0.00 0.00 178.44 178.23 3h90 h ALA 85 N 1.61 -0.56 -0.38 1.25 0.00 -0.20 -2.52 119.26 118.46 3h90 h ALA 85 Ca 0.53 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 3h90 h ALA 85 Cb 0.87 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3h90 h ALA 85 CO -0.30 -0.86 -0.08 1.96 0.00 0.00 0.00 179.25 179.97 3h90 h GLN 86 N -0.56 0.73 -0.67 0.00 4.20 0.56 -2.75 115.11 116.61 3h90 h GLN 86 Ca 0.01 -0.27 0.11 0.00 0.06 0.00 0.00 58.65 58.56 3h90 h GLN 86 Cb 0.56 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 3h90 h GLN 86 CO -0.12 0.87 0.45 0.66 -0.67 0.00 0.00 178.83 180.02 3h90 h SER 87 N 0.54 0.43 -0.12 1.46 4.64 -0.22 0.33 113.55 120.60 3h90 h SER 87 Ca 0.10 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3h90 h SER 87 Cb 0.59 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3h90 h SER 87 CO 0.04 0.25 -0.08 0.24 -0.87 0.00 0.00 176.83 176.40 3h90 h MET 88 N 0.47 0.27 -0.29 4.77 2.86 -1.17 0.17 114.93 122.01 3h90 h MET 88 Ca 0.32 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 3h90 h MET 88 Cb 0.60 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3h90 h MET 88 CO -0.10 0.63 -0.22 0.74 1.06 0.00 0.00 176.91 179.03 3h90 h PHE 89 N -0.10 0.60 0.02 -0.22 0.05 -1.08 0.26 116.94 116.47 3h90 h PHE 89 Ca 0.02 -0.12 -0.22 0.00 3.82 0.00 0.00 57.97 61.47 3h90 h PHE 89 Cb 0.57 -0.15 -0.00 0.00 2.00 0.00 0.00 35.95 38.36 3h90 h PHE 89 CO 0.07 0.72 -0.97 0.82 -0.18 0.00 0.00 178.31 178.77 3h90 h ILE 90 N 0.48 1.46 0.00 -0.55 2.04 -0.45 -2.55 117.51 117.93 3h90 h ILE 90 Ca 0.07 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.30 3h90 h ILE 90 Cb 0.65 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3h90 h ILE 90 CO 0.05 0.78 0.00 -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 -0.62 -2.68 113.55 112.99 3h90 h SER 91 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3h90 h SER 91 Cb 1.63 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.58 3h90 h SER 91 CO 0.16 0.00 -0.06 1.23 -0.53 0.00 0.00 176.83 177.63 3h90 h GLY 92 N 2.04 0.00 1.38 5.77 0.00 -0.84 -3.21 103.07 108.20 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 0.00 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 -0.83 113.55 111.14 3h90 h SER 93 Ca -0.01 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.67 3h90 h SER 93 Cb 0.64 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3h90 h SER 93 CO -0.01 0.00 -1.42 0.00 -1.14 0.00 0.00 176.83 174.26 3h90 h ALA 94 N 1.67 0.48 0.02 3.77 0.00 -1.60 -2.22 119.26 121.39 3h90 h ALA 94 Ca 0.09 -1.17 -0.23 0.00 0.00 0.00 0.00 54.91 53.60 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 1.34 -0.97 1.25 0.00 0.00 0.00 179.25 180.88 3h90 h LEU 95 N 0.02 0.47 -0.80 0.00 6.46 -1.42 -1.73 115.31 118.30 3h90 h LEU 95 Ca -0.18 -0.39 0.07 0.00 -0.12 0.00 0.00 57.88 57.26 3h90 h LEU 95 Cb 1.93 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 41.65 3h90 h LEU 95 CO 0.12 1.20 0.48 0.15 -0.62 0.00 0.00 178.44 179.77 3h90 h PHE 96 N 0.19 0.88 0.00 1.25 3.57 -1.22 -0.99 116.94 120.61 3h90 h PHE 96 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3h90 h PHE 96 Cb 1.61 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3h90 h PHE 96 CO 0.05 0.42 -0.53 1.25 -2.23 0.00 0.00 178.31 177.27 3h90 h LEU 97 N 0.85 0.00 0.19 0.59 5.85 -1.38 -2.20 115.31 119.22 3h90 h LEU 97 Ca 0.36 -0.08 -0.31 0.00 0.84 0.00 0.00 57.88 58.69 3h90 h LEU 97 Cb 0.22 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.27 3h90 h LEU 97 CO -0.19 0.04 -1.42 0.15 -0.34 0.00 0.00 178.44 176.68 3h90 h PHE 98 N 0.00 0.73 0.00 1.25 3.57 -1.05 -2.09 116.94 119.35 3h90 h PHE 98 Ca 0.00 -0.53 -0.07 0.00 3.53 0.00 0.00 57.97 60.89 3h90 h PHE 98 Cb 0.87 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3h90 h PHE 98 CO 0.00 1.45 -0.35 -0.07 -2.23 0.00 0.00 178.31 177.10 3h90 h LEU 99 N 0.11 0.00 -0.69 0.59 -0.00 -1.24 -2.01 115.31 112.07 3h90 h LEU 99 Ca -0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.55 3h90 h LEU 99 Cb 2.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.72 3h90 h LEU 99 CO 0.23 0.35 -0.55 0.74 -0.00 0.00 0.00 178.44 179.22 3h90 h THR 100 N 0.00 1.20 -0.63 0.22 2.02 -1.46 -1.24 112.91 113.02 3h90 h THR 100 Ca -0.00 -2.02 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 3h90 h THR 100 Cb 0.97 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 3h90 h THR 100 CO 0.05 0.54 0.26 1.23 0.37 0.00 0.00 175.52 177.96 3h90 h GLY 101 N 2.20 1.00 1.17 2.16 0.00 -0.64 -2.52 103.07 106.44 3h90 h GLY 101 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3h90 h GLY 101 CO 0.07 0.51 -0.69 0.16 0.00 0.00 0.00 176.54 176.59 3h90 h ILE 102 N 0.87 0.00 0.00 2.60 3.07 -1.53 -3.31 117.51 119.21 3h90 h ILE 102 Ca 0.21 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3h90 h ILE 102 Cb 0.19 1.25 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 -1.37 0.16 7.27 -0.47 -3.37 117.38 117.28 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 -1.28 -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 -1.56 1.18 -0.63 3.69 1.44 -0.98 -3.84 115.22 114.54 3h90 n HIS 104 Ca 0.00 -1.84 -0.07 0.00 -2.01 0.00 0.00 57.72 53.80 3h90 n HIS 104 Cb 0.00 -1.46 -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 1.35 3.58 -3.78 2.39 0.00 -1.22 -4.49 117.00 114.83 3h90 n LEU 105 Ca 0.48 -2.21 -0.25 0.00 0.00 0.00 0.00 56.01 54.03 3h90 n LEU 105 Cb 0.64 -0.93 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 2.50 -3.56 -0.08 1.96 5.41 -1.26 -4.96 119.36 119.36 3h90 n ILE 106 Ca 0.24 -0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.53 3h90 n ILE 106 Cb 0.58 -3.44 -0.11 0.00 -0.71 0.00 0.00 39.64 35.97 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 -3.42 113.55 110.78 3h90 h SER 107 Ca -0.60 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 59.68 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 0.60 1.10 0.00 -2.65 -1.14 0.00 0.00 176.83 174.74 3h90 n PRO 108 N -4.57 0.00 -3.63 3.45 -0.02 -1.26 -5.09 135.00 123.88 3h90 n PRO 108 Ca -0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 3h90 n PRO 108 Cb 0.49 -0.15 -0.03 0.00 -0.02 0.00 0.00 33.50 33.79 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 -5.08 115.64 110.75 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 0.31 0.71 -0.02 7.08 -0.02 -1.26 -4.77 135.00 137.03 3h90 n PRO 110 Ca 0.01 -0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.28 3h90 n PRO 110 Cb 0.58 -3.16 -0.15 0.00 -0.02 0.00 0.00 33.50 30.75 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 8.66 0.66 -1.13 -0.52 2.81 -1.26 -4.58 117.12 121.76 3h90 n MET 111 Ca 0.45 -0.12 -0.34 0.00 -1.81 0.00 0.00 57.70 55.88 3h90 n MET 111 Cb 0.43 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.42 2.84 -0.05 2.03 -1.04 -1.26 -4.41 114.28 109.97 3h90 n THR 112 Ca -0.10 -1.99 -0.11 0.00 -2.04 0.00 0.00 64.05 59.81 3h90 n THR 112 Cb 0.70 -2.36 -0.14 0.00 -1.82 0.00 0.00 70.33 66.70 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 5.24 0.84 -4.51 8.00 10.43 -1.26 -4.91 116.55 130.38 3h90 n ASP 113 Ca 0.54 0.25 -0.52 0.00 2.57 0.00 0.00 54.79 57.63 3h90 n ASP 113 Cb 0.27 0.12 -0.07 0.00 1.84 0.00 0.00 41.12 43.27 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 -3.02 1.16 -0.58 -0.24 -0.02 -1.26 -4.78 135.00 126.26 3h90 n PRO 114 Ca -0.25 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 3h90 n PRO 114 Cb 1.08 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 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 5.97 2.19 3.76 -1.23 0.00 -1.26 -4.91 105.19 109.70 3h90 n GLY 115 Ca 0.37 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 2.51 3.33 -0.95 1.61 0.24 -1.26 -4.64 118.33 119.17 3h90 n VAL 116 Ca 0.23 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 3h90 n VAL 116 Cb 0.54 -1.77 -0.10 0.00 -1.47 0.00 0.00 33.84 31.04 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 0.65 -0.21 0.00 7.63 0.00 -1.26 -4.68 105.19 107.33 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 3.77 0.00 0.28 1.61 3.14 -1.26 -3.09 118.33 122.78 3h90 n VAL 118 Ca 0.29 0.00 0.18 0.00 -2.96 0.00 0.00 64.34 61.85 3h90 n VAL 118 Cb 0.22 -0.44 0.94 0.00 -1.06 0.00 0.00 33.84 33.50 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 0.49 1.55 -2.65 -1.99 -1.95 117.51 112.96 3h90 h ILE 119 Ca 0.00 -0.07 -0.02 0.00 1.03 0.00 0.00 64.86 65.80 3h90 h ILE 119 Cb 0.00 0.89 0.00 0.00 -2.05 0.00 0.00 36.82 35.67 3h90 h ILE 119 CO 0.00 0.00 -0.24 -0.37 0.03 0.00 0.00 178.15 177.57 3h90 h VAL 120 N 0.00 0.10 0.00 0.16 -1.51 -1.90 -2.94 116.25 110.16 3h90 h VAL 120 Ca 0.00 -0.53 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 3h90 h VAL 120 Cb 0.08 0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 29.39 3h90 h VAL 120 CO 0.00 0.02 -0.14 0.71 -1.23 0.00 0.00 177.57 176.93 3h90 h THR 121 N -1.14 0.55 0.04 7.19 1.35 -1.65 0.56 112.91 119.81 3h90 h THR 121 Ca -0.07 -0.68 -0.23 0.00 -0.55 0.00 0.00 66.41 64.89 3h90 h THR 121 Cb 0.54 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 3h90 h THR 121 CO 0.11 0.14 -0.92 0.16 -0.25 0.00 0.00 175.52 174.76 3h90 h ILE 122 N 0.00 1.35 -0.51 6.82 3.07 -1.53 -2.05 117.51 124.66 3h90 h ILE 122 Ca -0.00 -2.26 -0.03 0.00 1.55 0.00 0.00 64.86 64.12 3h90 h ILE 122 Cb 0.44 2.60 -0.02 0.00 -0.27 0.00 0.00 36.82 39.56 3h90 h ILE 122 CO 0.02 0.68 0.22 0.58 -1.05 0.00 0.00 178.15 178.59 3h90 h VAL 123 N 0.13 1.21 -0.45 0.16 2.07 -1.21 -1.61 116.25 116.55 3h90 h VAL 123 Ca -0.13 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 66.85 3h90 h VAL 123 Cb 1.61 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 3h90 h VAL 123 CO 0.18 0.24 -0.32 0.00 0.02 0.00 0.00 177.57 177.69 3h90 h ALA 124 N 1.06 -0.14 0.06 1.67 0.00 0.06 -0.29 119.26 121.68 3h90 h ALA 124 Ca 0.17 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3h90 h ALA 124 Cb 0.17 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3h90 h ALA 124 CO -0.02 -0.71 -0.49 -0.07 0.00 0.00 0.00 179.25 177.97 3h90 h LEU 125 N -0.23 -1.48 -1.24 0.00 4.07 -1.20 -1.54 115.31 113.69 3h90 h LEU 125 Ca 0.19 0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.39 3h90 h LEU 125 Cb 0.54 0.56 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 3h90 h LEU 125 CO -0.57 -0.52 0.55 -0.29 -1.08 0.00 0.00 178.44 176.53 3h90 h ILE 126 N -0.68 1.02 0.00 1.22 2.10 -0.10 0.83 117.51 121.90 3h90 h ILE 126 Ca 0.02 -0.31 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 3h90 h ILE 126 Cb 0.72 0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.49 3h90 h ILE 126 CO -0.31 0.16 -1.06 0.00 -1.08 0.00 0.00 178.15 175.86 3h90 h THR 128 N 0.00 1.41 -0.69 0.00 2.02 -0.17 -2.67 112.91 112.81 3h90 h THR 128 Ca -0.01 -2.13 0.14 0.00 0.77 0.00 0.00 66.41 65.18 3h90 h THR 128 Cb 1.03 2.61 -0.10 0.00 -1.74 0.00 0.00 68.15 69.95 3h90 h THR 128 CO 0.00 0.63 0.19 0.40 0.37 0.00 0.00 175.52 177.10 3h90 h ILE 129 N -0.05 0.59 -0.16 3.11 1.08 0.53 -0.34 117.51 122.28 3h90 h ILE 129 Ca -0.09 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 3h90 h ILE 129 Cb 1.39 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 3h90 h ILE 129 CO 0.13 0.06 -0.05 0.40 -0.69 0.00 0.00 178.15 178.00 3h90 h ILE 130 N 0.30 0.82 0.72 -0.67 1.08 -1.50 -2.90 117.51 115.36 3h90 h ILE 130 Ca 0.38 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.81 3h90 h ILE 130 Cb 0.60 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3h90 h ILE 130 CO -0.45 0.00 -0.37 0.25 -0.69 0.00 0.00 178.15 176.89 3h90 h LEU 131 N -0.01 -0.90 -1.62 1.44 6.46 -1.00 -2.79 115.31 116.89 3h90 h LEU 131 Ca 0.08 0.04 0.40 0.00 -0.12 0.00 0.00 57.88 58.28 3h90 h LEU 131 Cb 0.13 0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.21 3h90 h LEU 131 CO -0.17 -0.61 0.91 0.58 -0.62 0.00 0.00 178.44 178.52 3h90 h VAL 132 N -1.00 0.25 0.20 1.05 2.07 -1.08 0.33 116.25 118.08 3h90 h VAL 132 Ca -0.10 -0.04 -0.32 0.00 0.82 0.00 0.00 66.70 67.06 3h90 h VAL 132 Cb 0.78 0.12 0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3h90 h VAL 132 CO 0.15 0.02 -1.45 0.28 0.02 0.00 0.00 177.57 176.59 3h90 h SER 133 N 0.12 0.67 -0.52 0.57 0.02 -1.46 0.35 113.55 113.30 3h90 h SER 133 Ca 0.73 -0.75 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3h90 h SER 133 Cb 2.47 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.77 3h90 h SER 133 CO -0.24 1.60 0.30 0.15 -1.14 0.00 0.00 176.83 177.51 3h90 h PHE 134 N 0.12 0.69 0.06 3.45 3.57 -0.24 0.17 116.94 124.76 3h90 h PHE 134 Ca -0.23 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.29 3h90 h PHE 134 Cb 2.10 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.57 3h90 h PHE 134 CO 0.10 0.49 -0.25 1.96 -2.23 0.00 0.00 178.31 178.38 3h90 h GLN 135 N 0.69 -0.41 -0.71 1.11 4.20 -0.63 -1.48 115.11 117.88 3h90 h GLN 135 Ca 0.18 0.03 0.13 0.00 0.06 0.00 0.00 58.65 59.05 3h90 h GLN 135 Cb 0.01 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3h90 h GLN 135 CO -0.03 -0.27 0.48 0.00 -0.67 0.00 0.00 178.83 178.33 3h90 h ARG 136 N -0.43 0.43 -0.33 1.46 3.08 0.03 0.07 114.38 118.69 3h90 h ARG 136 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3h90 h ARG 136 Cb 0.48 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3h90 h ARG 136 CO -0.18 0.28 0.07 2.35 -1.07 0.00 0.00 179.97 181.42 3h90 h TRP 137 N 0.44 0.56 -0.44 3.04 7.01 0.25 -1.78 115.95 125.03 3h90 h TRP 137 Ca 0.34 -0.07 -0.14 0.00 2.11 0.00 0.00 58.89 61.13 3h90 h TRP 137 Cb 0.73 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 3h90 h TRP 137 CO -0.00 0.59 -0.27 0.28 -2.79 0.00 0.00 178.44 176.24 3h90 h VAL 138 N 0.37 1.27 -0.75 2.65 2.07 -0.49 -1.31 116.25 120.07 3h90 h VAL 138 Ca 0.10 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.27 3h90 h VAL 138 Cb 0.32 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3h90 h VAL 138 CO 0.00 0.49 0.40 0.58 0.02 0.00 0.00 177.57 179.06 3h90 h VAL 139 N 0.80 0.88 -0.25 2.57 2.07 -0.93 0.44 116.25 121.82 3h90 h VAL 139 Ca 0.09 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3h90 h VAL 139 Cb 0.85 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3h90 h VAL 139 CO 0.08 0.12 -0.06 -0.09 0.02 0.00 0.00 177.57 177.64 3h90 h ARG 140 N 0.68 0.49 -0.60 1.57 2.43 -1.20 -3.28 114.38 114.47 3h90 h ARG 140 Ca 0.36 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 3h90 h ARG 140 Cb 0.35 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3h90 h ARG 140 CO -0.25 0.71 -0.02 0.00 -1.51 0.00 0.00 179.97 178.89 3h90 h ARG 141 N 0.24 1.08 -3.30 0.20 2.47 -0.62 -3.42 114.38 111.02 3h90 h ARG 141 Ca 0.06 -0.35 -0.35 0.00 -1.26 0.00 0.00 59.98 58.08 3h90 h ARG 141 Cb 0.53 -0.09 -0.38 0.00 -1.65 0.00 0.00 29.97 28.38 3h90 h ARG 141 CO 0.02 1.06 -0.72 -0.08 0.56 0.00 0.00 179.97 180.81 3h90 s THR 142 N -4.99 -0.12 -1.66 2.04 -1.32 0.15 -5.04 115.64 104.69 3h90 s THR 142 Ca -0.12 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 3h90 s THR 142 Cb 0.13 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.96 3h90 s THR 142 CO 0.86 0.16 0.03 0.00 -2.21 0.00 0.00 174.62 173.47 3h90 n GLN 143 N 5.16 0.04 -1.36 7.08 1.13 -1.24 -4.02 117.38 124.17 3h90 n GLN 143 Ca -0.06 0.00 -0.46 0.00 -1.94 0.00 0.00 57.00 54.54 3h90 n GLN 143 Cb 0.50 -1.01 -0.13 0.00 0.11 0.00 0.00 30.24 29.71 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 -0.16 0.43 -0.37 1.08 2.88 -1.26 -4.85 113.62 111.36 3h90 n SER 144 Ca 0.00 0.34 -0.00 0.00 -1.33 0.00 0.00 58.87 57.88 3h90 n SER 144 Cb 0.00 -0.88 0.06 0.00 -0.75 0.00 0.00 64.21 62.64 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 10.59 -0.01 -0.15 -1.46 1.08 -1.92 -1.27 115.11 121.96 3h90 h GLN 145 Ca -0.06 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3h90 h GLN 145 Cb 1.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 3h90 h GLN 145 CO 1.24 -0.00 0.09 0.00 -0.95 0.00 0.00 178.83 179.20 3h90 h ALA 146 N 1.47 0.18 0.00 3.87 0.00 -1.89 -2.65 119.26 120.24 3h90 h ALA 146 Ca 0.36 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 3h90 h ALA 146 Cb 0.62 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3h90 h ALA 146 CO -0.98 -0.34 -0.71 -0.39 0.00 0.00 0.00 179.25 176.82 3h90 h VAL 147 N 0.18 1.33 -0.32 0.00 -1.51 -1.87 -2.87 116.25 111.19 3h90 h VAL 147 Ca 0.06 -2.59 -0.01 0.00 -1.23 0.00 0.00 66.70 62.93 3h90 h VAL 147 Cb -0.01 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 3h90 h VAL 147 CO -0.03 0.70 0.17 -0.09 -1.23 0.00 0.00 177.57 177.09 3h90 h ARG 148 N 0.00 0.45 0.03 5.19 2.43 -1.14 0.12 114.38 121.45 3h90 h ARG 148 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3h90 h ARG 148 Cb 1.42 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3h90 h ARG 148 CO 0.09 0.39 -0.02 0.00 -1.51 0.00 0.00 179.97 178.92 3h90 h ALA 149 N 1.03 -0.04 -0.14 2.80 0.00 -1.44 0.20 119.26 121.67 3h90 h ALA 149 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h90 h ALA 149 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h90 h ALA 149 CO -0.02 -0.53 0.08 0.22 0.00 0.00 0.00 179.25 179.01 3h90 h ASP 150 N -0.05 0.16 -0.24 0.00 3.58 -1.32 -0.94 116.42 117.61 3h90 h ASP 150 Ca -0.00 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 3h90 h ASP 150 Cb 0.04 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3h90 h ASP 150 CO -0.00 0.12 -0.17 -0.03 -2.88 0.00 0.00 179.24 176.28 3h90 h MET 151 N 0.19 0.54 -0.70 0.28 4.05 -0.29 -3.24 114.93 115.76 3h90 h MET 151 Ca 0.05 -0.26 0.14 0.00 -0.28 0.00 0.00 59.70 59.36 3h90 h MET 151 Cb -0.01 -0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.69 3h90 h MET 151 CO -0.01 0.83 0.18 1.25 0.23 0.00 0.00 176.91 179.39 3h90 h LEU 152 N 0.25 0.04 -0.14 3.39 5.85 0.46 0.39 115.31 125.55 3h90 h LEU 152 Ca 0.05 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3h90 h LEU 152 Cb 0.70 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3h90 h LEU 152 CO 0.05 -0.01 0.02 -0.74 -0.34 0.00 0.00 178.44 177.42 3h90 h HIS 153 N 0.29 0.03 -0.21 1.25 2.76 -1.59 -2.03 115.15 115.65 3h90 h HIS 153 Ca 0.39 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.53 3h90 h HIS 153 Cb 0.63 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 3h90 h HIS 153 CO -0.25 0.00 -0.01 1.88 -1.30 0.00 0.00 177.93 178.26 3h90 h TYR 154 N 0.07 0.32 -0.22 5.26 -1.99 -0.75 0.46 116.97 120.12 3h90 h TYR 154 Ca 0.07 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.81 3h90 h TYR 154 Cb 0.07 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 3h90 h TYR 154 CO -0.13 0.34 0.15 1.96 -0.00 0.00 0.00 178.16 180.47 3h90 h GLN 155 N 0.31 0.14 -0.03 4.88 4.20 0.28 0.36 115.11 125.24 3h90 h GLN 155 Ca 0.07 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.57 3h90 h GLN 155 Cb 0.22 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3h90 h GLN 155 CO 0.01 0.09 -0.85 0.77 -0.67 0.00 0.00 178.83 178.17 3h90 h SER 156 N 0.14 0.46 0.11 1.46 0.02 -0.28 -3.00 113.55 112.46 3h90 h SER 156 Ca 0.10 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3h90 h SER 156 Cb 0.21 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3h90 h SER 156 CO -0.01 1.12 -0.31 0.44 -1.14 0.00 0.00 176.83 176.92 3h90 h ASP 157 N 0.22 0.31 0.26 3.07 3.32 -0.05 -1.86 116.42 121.69 3h90 h ASP 157 Ca -0.05 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3h90 h ASP 157 Cb 1.46 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 3h90 h ASP 157 CO 0.14 0.62 -0.19 0.58 -1.72 0.00 0.00 179.24 178.67 3h90 h VAL 158 N 0.27 1.00 0.00 -1.35 2.07 -0.36 -3.23 116.25 114.65 3h90 h VAL 158 Ca 0.04 -0.69 -0.57 0.00 0.82 0.00 0.00 66.70 66.30 3h90 h VAL 158 Cb 0.69 1.39 0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3h90 h VAL 158 CO 0.05 0.19 2.31 0.23 0.02 0.00 0.00 177.57 180.37 3h90 n MET 159 N -4.10 1.55 -4.87 1.57 2.81 -0.70 -4.86 117.12 108.52 3h90 n MET 159 Ca -0.02 -1.70 -0.33 0.00 -1.81 0.00 0.00 57.70 53.85 3h90 n MET 159 Cb 0.26 -2.77 -0.15 0.00 -0.71 0.00 0.00 33.22 29.85 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 4.70 3.21 -0.88 0.03 1.75 -1.22 -5.01 119.30 121.87 3h90 s MET 160 Ca 0.52 -0.72 0.00 0.00 -1.25 0.00 0.00 55.69 54.25 3h90 s MET 160 Cb 0.13 -2.54 0.29 0.00 2.84 0.00 0.00 34.83 35.55 3h90 s MET 160 CO 0.09 0.26 1.22 0.09 -0.65 0.00 0.00 175.02 176.03 3h90 n ASN 161 N 3.36 5.44 -1.59 1.11 4.13 -1.26 -4.46 115.26 121.98 3h90 n ASN 161 Ca -0.18 -3.47 -0.10 0.00 1.68 0.00 0.00 54.58 52.51 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 0.91 3.23 0.31 7.41 0.00 -1.26 -3.56 105.19 112.23 3h90 n GLY 162 Ca 0.30 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 0.28 2.40 -2.67 4.61 0.00 -1.26 -5.02 120.51 118.85 3h90 n ALA 163 Ca 0.21 -2.35 -0.43 0.00 0.00 0.00 0.00 53.44 50.87 3h90 n ALA 163 Cb 0.74 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.15 4.73 0.24 0.00 -4.36 -1.23 -5.00 121.20 113.42 3h90 s ILE 164 Ca 0.26 2.01 -0.31 0.00 -0.26 0.00 0.00 60.65 62.35 3h90 s ILE 164 Cb 0.24 -4.30 -0.13 0.00 1.25 0.00 0.00 42.46 39.52 3h90 s ILE 164 CO -0.00 -0.11 1.55 0.18 0.24 0.00 0.00 174.94 176.81 3h90 n LEU 165 N 5.82 3.67 -0.02 0.37 4.77 -1.26 -4.90 117.00 125.45 3h90 n LEU 165 Ca 0.10 1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 57.19 3h90 n LEU 165 Cb 0.47 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 3h90 n LEU 165 CO 0.52 -0.13 -0.61 0.00 -1.33 0.00 0.00 177.39 175.84 3h90 n LEU 166 N 2.68 0.00 -0.07 2.23 -0.00 -1.26 -3.58 117.00 117.00 3h90 n LEU 166 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.06 3h90 n LEU 166 Cb 0.33 0.08 -0.05 0.00 -0.00 0.00 0.00 43.42 43.79 3h90 n LEU 166 CO 0.63 0.08 -0.07 0.00 -0.00 0.00 0.00 177.39 178.03 3h90 h ALA 167 N 0.18 0.03 0.00 1.47 0.00 -2.02 -3.32 119.26 115.60 3h90 h ALA 167 Ca -0.09 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3h90 h ALA 167 Cb 1.15 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3h90 h ALA 167 CO 0.00 0.22 -0.45 -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 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3h90 h LEU 168 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 3h90 h LEU 168 CO -0.03 0.45 0.00 0.61 -0.00 0.00 0.00 178.44 179.48 3h90 n GLY 169 N -0.04 3.52 0.00 0.83 0.00 -1.23 -4.22 105.19 104.05 3h90 n GLY 169 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.46 117.00 113.05 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 0.66 -0.44 -1.22 0.00 0.00 177.39 176.39 3h90 s SER 171 N -1.50 -0.44 -0.05 -1.43 0.01 -1.26 -4.69 113.70 104.33 3h90 s SER 171 Ca 0.00 0.36 -0.33 0.00 1.31 0.00 0.00 55.95 57.28 3h90 s SER 171 Cb 0.00 0.39 -0.11 0.00 0.21 0.00 0.00 66.02 66.51 3h90 s SER 171 CO 0.00 -0.50 1.89 0.79 0.41 0.00 0.00 173.24 175.83 3h90 n TRP 172 N 0.48 2.37 -1.63 2.43 8.01 -1.26 -4.78 117.44 123.05 3h90 n TRP 172 Ca -0.12 -0.07 -0.46 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 6.71 1.74 0.00 -5.99 4.01 -1.26 -3.50 117.16 118.88 3h90 n TYR 173 Ca 0.22 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 3h90 n TYR 173 Cb 0.32 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 36.99 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 1.76 2.75 2.77 2.72 0.00 -1.26 -4.99 105.19 108.93 3h90 n GLY 174 Ca 0.11 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 2.29 -1.14 1.61 -0.00 -1.23 -5.12 117.44 113.86 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 -0.42 0.12 0.00 -0.00 0.00 0.00 31.31 31.01 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 -1.16 2.10 -0.12 5.87 -3.43 -1.26 -4.60 115.29 112.69 3h90 s HIS 176 Ca 0.27 1.66 -0.15 0.00 -0.80 0.00 0.00 55.06 56.04 3h90 s HIS 176 Cb -0.02 -3.27 0.04 0.00 -1.43 0.00 0.00 32.58 27.90 3h90 s HIS 176 CO -0.17 -2.35 0.39 0.50 -2.00 0.00 0.00 174.74 171.10 3h90 s ARG 177 N -4.50 0.52 0.00 -0.38 3.52 -1.26 -4.89 118.95 111.97 3h90 s ARG 177 Ca 0.67 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 3h90 s ARG 177 Cb -0.22 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 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 2.49 0.00 0.20 6.12 0.00 -1.26 -4.57 120.51 123.48 3h90 n ALA 178 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 3h90 n ALA 178 Cb 0.57 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.91 0.00 3.32 -2.00 -3.36 116.42 113.48 3h90 h ASP 179 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 3h90 h ASP 179 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 3h90 h ASP 179 CO 0.00 0.35 -0.04 0.00 -1.72 0.00 0.00 179.24 177.83 3h90 n ALA 180 N -2.37 0.41 -0.20 3.45 0.00 -1.26 -0.19 120.51 120.34 3h90 n ALA 180 Ca -0.01 0.98 -0.08 0.00 0.00 0.00 0.00 53.44 54.33 3h90 n ALA 180 Cb 0.43 -0.69 0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.34 115.31 119.56 3h90 h LEU 181 Ca 0.52 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3h90 h LEU 181 Cb 1.03 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 3h90 h LEU 181 CO -0.87 1.05 -0.13 -0.26 -0.62 0.00 0.00 178.44 177.61 3h90 h PHE 182 N 0.96 0.00 -0.08 1.25 -1.00 -1.07 -2.71 116.94 114.28 3h90 h PHE 182 Ca 0.18 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.98 3h90 h PHE 182 Cb 0.51 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 3h90 h PHE 182 CO 0.04 0.79 0.07 0.00 -1.61 0.00 0.00 178.31 177.60 3h90 h ALA 183 N -0.29 1.92 0.16 2.45 0.00 -0.65 -0.58 119.26 122.26 3h90 h ALA 183 Ca -0.03 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3h90 h ALA 183 Cb 0.79 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.62 3h90 h ALA 183 CO -0.02 -0.11 -1.02 1.25 0.00 0.00 0.00 179.25 179.36 3h90 h LEU 184 N 0.00 0.62 -0.09 0.00 6.46 -1.38 -3.24 115.31 117.68 3h90 h LEU 184 Ca 0.04 -0.92 0.01 0.00 -0.12 0.00 0.00 57.88 56.89 3h90 h LEU 184 Cb 0.17 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3h90 h LEU 184 CO -0.00 1.49 0.03 1.23 -0.62 0.00 0.00 178.44 180.57 3h90 h GLY 185 N -0.15 0.11 0.67 3.75 0.00 -0.90 -2.42 103.07 104.13 3h90 h GLY 185 Ca -0.17 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.20 3h90 h GLY 185 CO 0.19 0.01 0.32 -2.22 0.00 0.00 0.00 176.54 174.85 3h90 h ILE 186 N 0.07 0.95 -0.86 2.60 2.04 -1.33 -2.89 117.51 118.09 3h90 h ILE 186 Ca 0.04 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.84 3h90 h ILE 186 Cb 0.02 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 36.30 3h90 h ILE 186 CO -0.04 0.11 0.45 1.23 0.00 0.00 0.00 178.15 179.90 3h90 h GLY 187 N 0.60 1.41 1.07 5.37 0.00 -1.46 0.42 103.07 110.48 3h90 h GLY 187 Ca 0.28 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 3h90 h GLY 187 CO -0.18 -0.03 -0.71 -2.22 0.00 0.00 0.00 176.54 173.39 3h90 h ILE 188 N 0.65 1.31 -0.01 2.60 2.04 -1.29 -2.44 117.51 120.36 3h90 h ILE 188 Ca 0.47 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 3h90 h ILE 188 Cb 0.65 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3h90 h ILE 188 CO -0.36 0.61 -0.01 0.22 0.00 0.00 0.00 178.15 178.61 3h90 h TYR 189 N 0.36 0.03 -0.14 1.37 3.20 -1.25 -2.36 116.97 118.18 3h90 h TYR 189 Ca -0.06 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.68 3h90 h TYR 189 Cb 1.36 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 3h90 h TYR 189 CO 0.10 0.44 -0.46 0.82 -1.64 0.00 0.00 178.16 177.43 3h90 h ILE 190 N -0.39 1.32 0.24 1.81 1.08 -1.04 0.30 117.51 120.83 3h90 h ILE 190 Ca 0.00 -1.65 -0.01 0.00 -0.39 0.00 0.00 64.86 62.82 3h90 h ILE 190 Cb 0.43 1.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 3h90 h ILE 190 CO 0.00 0.50 -0.14 0.25 -0.69 0.00 0.00 178.15 178.07 3h90 h LEU 191 N 0.27 -0.35 -0.53 1.44 5.85 -1.49 0.19 115.31 120.70 3h90 h LEU 191 Ca 0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3h90 h LEU 191 Cb 0.91 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3h90 h LEU 191 CO 0.08 -0.23 0.21 0.22 -0.34 0.00 0.00 178.44 178.37 3h90 h TYR 192 N -0.36 0.37 -0.73 1.25 3.20 -1.22 0.13 116.97 119.61 3h90 h TYR 192 Ca -0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3h90 h TYR 192 Cb 0.30 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3h90 h TYR 192 CO -0.08 0.13 0.27 1.03 -1.64 0.00 0.00 178.16 177.86 3h90 h SER 193 N 0.40 1.02 0.33 -2.11 0.87 -0.05 -1.19 113.55 112.82 3h90 h SER 193 Ca 0.25 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.45 3h90 h SER 193 Cb 0.26 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3h90 h SER 193 CO -0.24 0.93 -0.74 0.00 -0.53 0.00 0.00 176.83 176.25 3h90 h ALA 194 N 1.13 0.62 -0.47 6.23 0.00 -0.41 -2.24 119.26 124.11 3h90 h ALA 194 Ca 0.24 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3h90 h ALA 194 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3h90 h ALA 194 CO -0.01 0.78 0.10 1.25 0.00 0.00 0.00 179.25 181.37 3h90 h LEU 195 N 0.23 0.73 -0.31 0.00 6.46 -0.44 -0.17 115.31 121.80 3h90 h LEU 195 Ca -0.03 -0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 3h90 h LEU 195 Cb 1.31 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3h90 h LEU 195 CO 0.12 0.78 -0.06 -0.09 -0.62 0.00 0.00 178.44 178.57 3h90 h ARG 196 N 0.64 0.60 -0.21 1.25 9.65 -1.27 -2.04 114.38 123.01 3h90 h ARG 196 Ca 0.15 -0.22 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3h90 h ARG 196 Cb 0.34 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.82 3h90 h ARG 196 CO 0.00 0.77 -0.25 1.98 2.80 0.00 0.00 179.97 185.27 3h90 h MET 197 N 0.37 -0.27 -0.32 0.20 4.05 -1.21 -1.83 114.93 115.93 3h90 h MET 197 Ca 0.08 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3h90 h MET 197 Cb 0.54 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 3h90 h MET 197 CO 0.03 -0.18 0.19 0.78 0.23 0.00 0.00 176.91 177.96 3h90 h GLY 198 N -0.28 0.46 0.55 1.39 0.00 -1.02 -2.38 103.07 101.80 3h90 h GLY 198 Ca 0.13 -0.19 0.14 0.00 0.00 0.00 0.00 47.33 47.41 3h90 h GLY 198 CO -0.37 0.19 0.56 -1.82 0.00 0.00 0.00 176.54 175.10 3h90 h TYR 199 N 0.40 0.76 -0.14 5.60 3.20 -0.97 0.13 116.97 125.95 3h90 h TYR 199 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 3h90 h TYR 199 Cb 0.02 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3h90 h TYR 199 CO -0.04 0.28 -0.50 0.93 -1.64 0.00 0.00 178.16 177.19 3h90 h GLU 200 N 0.64 0.39 0.33 1.82 5.08 -0.97 -2.46 114.58 119.41 3h90 h GLU 200 Ca 0.43 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3h90 h GLU 200 Cb 0.75 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3h90 h GLU 200 CO -0.19 0.80 -0.16 0.00 -1.00 0.00 0.00 179.01 178.47 3h90 h ALA 201 N 1.16 -0.44 0.00 3.43 0.00 -0.30 -2.37 119.26 120.74 3h90 h ALA 201 Ca 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h90 h ALA 201 Cb 0.99 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h90 h ALA 201 CO 0.09 -0.71 -0.10 -0.39 0.00 0.00 0.00 179.25 178.14 3h90 h VAL 202 N -0.52 0.63 0.00 0.00 -1.51 -1.25 -0.91 116.25 112.69 3h90 h VAL 202 Ca -0.04 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 3h90 h VAL 202 Cb 0.39 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3h90 h VAL 202 CO 0.07 0.10 -0.07 -0.61 -1.23 0.00 0.00 177.57 175.83 3h90 h GLN 203 N 0.00 0.00 0.00 5.19 5.75 -1.08 0.31 115.11 125.28 3h90 h GLN 203 Ca -0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3h90 h GLN 203 Cb 0.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3h90 h GLN 203 CO 0.01 0.07 -1.48 0.43 -2.65 0.00 0.00 178.83 175.21 3h90 n SER 204 N -3.13 0.49 -0.00 -0.69 7.64 -0.54 -3.07 113.62 114.31 3h90 n SER 204 Ca 0.03 0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.93 3h90 n SER 204 Cb 0.50 1.04 -0.11 0.00 -1.01 0.00 0.00 64.21 64.63 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 0.53-10.02 -3.43 3.38 -0.78 -3.40 115.31 101.59 3h90 h LEU 205 Ca -0.03 -0.74 -0.54 0.00 0.09 0.00 0.00 57.88 56.65 3h90 h LEU 205 Cb 1.10 -0.16 0.11 0.00 0.09 0.00 0.00 40.66 41.80 3h90 h LEU 205 CO 0.01 1.21 0.59 -0.76 0.09 0.00 0.00 178.44 179.57 3h90 s LEU 206 N -8.37 3.94 -1.28 1.67 1.02 0.11 -4.90 118.68 110.86 3h90 s LEU 206 Ca -0.13 2.67 -0.14 0.00 0.02 0.00 0.00 54.13 56.54 3h90 s LEU 206 Cb 0.04 -4.20 0.12 0.00 0.02 0.00 0.00 46.19 42.17 3h90 s LEU 206 CO 0.82 -1.33 1.70 0.47 0.02 0.00 0.00 176.35 178.03 3h90 n ASP 207 N -0.73 4.95 -4.77 2.29 10.43 -1.26 -4.74 116.55 122.71 3h90 n ASP 207 Ca 0.09 -2.96 -0.38 0.00 2.57 0.00 0.00 54.79 54.10 3h90 n ASP 207 Cb 0.45 -1.63 -0.04 0.00 1.84 0.00 0.00 41.12 41.75 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 2.45 4.29 0.94 -1.24 3.52 -1.18 -4.89 118.95 122.84 3h90 s ARG 208 Ca 0.47 1.64 -0.11 0.00 -0.13 0.00 0.00 55.73 57.60 3h90 s ARG 208 Cb 0.03 -2.75 0.16 0.00 -1.56 0.00 0.00 34.95 30.83 3h90 s ARG 208 CO 0.02 -0.06 1.11 0.00 -0.81 0.00 0.00 175.30 175.56 3h90 s ALA 209 N -1.48 1.25 0.81 6.12 0.00 -1.25 -4.33 121.76 122.88 3h90 s ALA 209 Ca 0.54 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 3h90 s ALA 209 Cb -0.26 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.58 3h90 s ALA 209 CO 0.33 -2.77 1.11 -0.51 0.00 0.00 0.00 175.76 173.92 3h90 s LEU 210 N -6.58 2.99 0.36 0.00 1.43 -1.26 -4.85 118.68 110.77 3h90 s LEU 210 Ca 0.66 1.94 -0.28 0.00 -1.03 0.00 0.00 54.13 55.41 3h90 s LEU 210 Cb -0.22 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.35 3h90 s LEU 210 CO 0.59 -2.34 1.47 -2.65 0.23 0.00 0.00 176.35 173.65 3h90 n PRO 211 N -3.70 2.60 -0.37 1.29 -0.02 -1.26 -4.71 135.00 128.82 3h90 n PRO 211 Ca 0.10 0.91 0.33 0.00 -2.02 0.00 0.00 63.50 62.82 3h90 n PRO 211 Cb 0.53 -2.63 0.59 0.00 -0.02 0.00 0.00 33.50 31.97 3h90 n PRO 211 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3h90 h ASP 212 N 3.14 0.32 0.26 2.55 5.19 -1.99 0.16 116.42 126.06 3h90 h ASP 212 Ca -0.50 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.12 3h90 h ASP 212 Cb 1.25 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.92 3h90 h ASP 212 CO 0.66 -0.30 -0.39 -0.08 -3.12 0.00 0.00 179.24 176.01 3h90 h GLU 213 N 0.08 -0.70 -0.69 3.56 4.57 -2.00 -0.52 114.58 118.89 3h90 h GLU 213 Ca 0.83 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 59.04 3h90 h GLU 213 Cb 2.29 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 31.01 3h90 h GLU 213 CO -0.62 -0.46 0.37 0.93 -1.18 0.00 0.00 179.01 178.05 3h90 h GLU 214 N -0.72 0.96 -0.62 1.92 5.08 -1.05 -1.95 114.58 118.20 3h90 h GLU 214 Ca -0.01 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3h90 h GLU 214 Cb 0.69 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3h90 h GLU 214 CO -0.14 0.71 0.30 -0.09 -1.00 0.00 0.00 179.01 178.79 3h90 h ARG 215 N 0.97 0.88 -0.37 2.33 2.43 -1.07 -2.66 114.38 116.89 3h90 h ARG 215 Ca 0.24 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3h90 h ARG 215 Cb 0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3h90 h ARG 215 CO -0.04 0.70 -0.01 0.37 -1.51 0.00 0.00 179.97 179.48 3h90 h GLN 216 N 0.84 0.67 -0.56 0.20 5.75 -0.53 -2.36 115.11 119.12 3h90 h GLN 216 Ca 0.21 -0.22 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 3h90 h GLN 216 Cb 0.10 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.50 3h90 h GLN 216 CO -0.03 0.78 0.01 0.93 -2.65 0.00 0.00 178.83 177.87 3h90 h GLU 217 N 0.48 0.12 -0.24 1.69 5.08 -1.23 0.18 114.58 120.67 3h90 h GLU 217 Ca 0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3h90 h GLU 217 Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3h90 h GLU 217 CO 0.02 0.08 0.03 0.82 -1.00 0.00 0.00 179.01 178.96 3h90 h ILE 218 N 0.13 0.87 -0.90 3.13 2.04 -1.35 0.10 117.51 121.53 3h90 h ILE 218 Ca 0.29 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.12 3h90 h ILE 218 Cb 0.44 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3h90 h ILE 218 CO -0.46 0.02 0.59 0.40 0.00 0.00 0.00 178.15 178.70 3h90 h ILE 219 N 0.12 1.22 0.13 -0.67 2.04 -0.69 -1.88 117.51 117.78 3h90 h ILE 219 Ca 0.11 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3h90 h ILE 219 Cb 0.12 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3h90 h ILE 219 CO -0.16 0.22 -0.06 0.44 0.00 0.00 0.00 178.15 178.58 3h90 h ASP 220 N 1.21 -0.15 -0.95 1.72 3.32 -0.39 -1.46 116.42 119.73 3h90 h ASP 220 Ca 0.33 -0.28 0.21 0.00 0.02 0.00 0.00 57.03 57.32 3h90 h ASP 220 Cb -0.12 0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.35 3h90 h ASP 220 CO -0.08 0.22 0.51 0.40 -1.72 0.00 0.00 179.24 178.57 3h90 h ILE 221 N -0.53 0.57 0.02 0.35 2.04 -0.57 -2.32 117.51 117.07 3h90 h ILE 221 Ca -0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3h90 h ILE 221 Cb 0.42 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3h90 h ILE 221 CO 0.03 0.10 -0.01 0.58 0.00 0.00 0.00 178.15 178.85 3h90 h VAL 222 N 0.56 0.74 -0.11 1.67 2.07 -1.26 -3.28 116.25 116.64 3h90 h VAL 222 Ca 0.58 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 3h90 h VAL 222 Cb 1.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3h90 h VAL 222 CO -0.46 0.24 -0.21 0.71 0.02 0.00 0.00 177.57 177.88 3h90 h THR 223 N -0.99 1.20 -0.24 2.57 1.35 -1.13 -1.60 112.91 114.07 3h90 h THR 223 Ca -0.00 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 3h90 h THR 223 Cb 0.42 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 3h90 h THR 223 CO 0.01 0.28 0.03 0.77 -0.25 0.00 0.00 175.52 176.36 3h90 h SER 224 N 0.17 0.32 -3.52 5.36 4.64 -1.57 -3.46 113.55 115.48 3h90 h SER 224 Ca 0.03 -0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3h90 h SER 224 Cb 0.47 -0.08 0.09 0.00 -0.31 0.00 0.00 62.40 62.56 3h90 h SER 224 CO 0.03 0.35 0.84 0.86 -0.87 0.00 0.00 176.83 178.04 3h90 s TRP 225 N -5.05 2.73 0.04 4.77 -0.11 -0.61 -4.95 118.94 115.77 3h90 s TRP 225 Ca -0.07 0.92 -0.08 0.00 1.22 0.00 0.00 56.10 58.09 3h90 s TRP 225 Cb 0.16 -4.03 -0.02 0.00 -1.50 0.00 0.00 33.47 28.08 3h90 s TRP 225 CO 0.73 -3.32 1.14 -1.35 -4.62 0.00 0.00 176.95 169.53 3h90 h PRO 226 N 4.30 -0.04 -0.97 5.86 0.11 -1.89 -3.16 132.00 136.21 3h90 h PRO 226 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3h90 h PRO 226 Cb 1.23 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3h90 h PRO 226 CO 0.75 -0.03 0.63 0.78 -0.21 0.00 0.00 178.00 179.92 3h90 h GLY 227 N -0.05 1.44 -2.27 -0.55 0.00 -1.93 -3.45 103.07 96.27 3h90 h GLY 227 Ca 0.03 -0.46 -0.50 0.00 0.00 0.00 0.00 47.33 46.40 3h90 h GLY 227 CO -0.20 0.34 0.44 -1.34 0.00 0.00 0.00 176.54 175.78 3h90 s VAL 228 N -5.99 3.20 -0.12 4.60 -7.23 -1.19 -4.72 120.40 108.95 3h90 s VAL 228 Ca -0.12 0.79 -0.06 0.00 -1.81 0.00 0.00 61.98 60.78 3h90 s VAL 228 Cb 0.20 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 3h90 s VAL 228 CO 0.81 -0.12 -0.15 -1.20 -0.31 0.00 0.00 175.10 174.13 3h90 n SER 229 N -1.03 0.90 -4.25 4.85 7.64 -0.57 -4.90 113.62 116.26 3h90 n SER 229 Ca 0.10 0.13 -0.15 0.00 1.01 0.00 0.00 58.87 59.96 3h90 n SER 229 Cb 0.50 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 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 -5.21 1.68 -0.07 0.23 0.00 -1.20 -4.99 107.32 97.77 3h90 s GLY 230 Ca -0.16 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.70 3h90 s GLY 230 CO 0.21 -1.54 0.17 0.00 0.00 0.00 0.00 173.10 171.94 3h90 s ALA 231 N -3.86 -0.39 0.04 3.20 0.00 -1.26 0.10 121.76 119.59 3h90 s ALA 231 Ca 0.38 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3h90 s ALA 231 Cb 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3h90 s ALA 231 CO 0.14 -0.11 0.00 -2.39 0.00 0.00 0.00 175.76 173.40 3h90 n HIS 232 N 3.38 -0.01 -3.68 0.00 1.44 -0.50 -4.98 115.22 110.87 3h90 n HIS 232 Ca -0.17 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.17 3h90 n HIS 232 Cb 0.57 0.01 -0.11 0.00 0.12 0.00 0.00 29.99 30.57 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 -5.35 5.81 -0.21 4.39 3.68 -1.26 -4.91 116.67 118.82 3h90 s ASP 233 Ca 0.00 -0.02 -0.01 0.00 2.13 0.00 0.00 52.55 54.65 3h90 s ASP 233 Cb 0.00 -2.06 0.06 0.00 -1.45 0.00 0.00 42.92 39.47 3h90 s ASP 233 CO 0.00 0.00 -0.00 -0.22 0.13 0.00 0.00 175.17 175.08 3h90 s LEU 234 N 1.43 1.81 0.01 -1.34 1.98 -1.26 -1.80 118.68 119.51 3h90 s LEU 234 Ca 0.07 -0.99 0.06 0.00 -2.89 0.00 0.00 54.13 50.38 3h90 s LEU 234 Cb -0.15 -0.86 -0.03 0.00 0.66 0.00 0.00 46.19 45.81 3h90 s LEU 234 CO 0.07 -0.28 -0.19 -0.13 -1.89 0.00 0.00 176.35 173.93 3h90 s ARG 235 N 1.65 2.18 0.02 1.98 3.00 -0.30 -4.98 118.95 122.50 3h90 s ARG 235 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 55.73 54.79 3h90 s ARG 235 Cb -0.18 -2.20 -0.02 0.00 0.00 0.00 0.00 34.95 32.55 3h90 s ARG 235 CO -0.07 0.57 -0.01 0.95 0.00 0.00 0.00 175.30 176.73 3h90 s THR 236 N -0.81 0.13 -0.24 0.02 -4.23 -1.26 -0.93 115.64 108.33 3h90 s THR 236 Ca 0.13 -1.05 -0.35 0.00 -1.18 0.00 0.00 61.69 59.24 3h90 s THR 236 Cb -0.10 -0.51 0.15 0.00 1.34 0.00 0.00 72.50 73.38 3h90 s THR 236 CO 0.03 -0.58 1.28 0.00 -0.54 0.00 0.00 174.62 174.81 3h90 s ARG 237 N -1.91 0.18 0.02 3.99 1.70 -0.91 -3.87 118.95 118.15 3h90 s ARG 237 Ca -0.12 -0.05 0.04 0.00 -0.47 0.00 0.00 55.73 55.14 3h90 s ARG 237 Cb -0.06 0.08 -0.02 0.00 -0.57 0.00 0.00 34.95 34.38 3h90 s ARG 237 CO -0.02 -0.08 -0.12 1.14 -1.08 0.00 0.00 175.30 175.14 3h90 s GLN 238 N -2.00 0.83 -0.26 3.89 -2.07 -1.26 0.11 119.66 118.90 3h90 s GLN 238 Ca 0.10 -0.61 -0.06 0.00 -1.82 0.00 0.00 55.36 52.97 3h90 s GLN 238 Cb -0.01 -0.80 -0.00 0.00 -1.09 0.00 0.00 33.01 31.11 3h90 s GLN 238 CO -0.04 0.20 0.03 -1.54 -1.32 0.00 0.00 175.29 172.62 3h90 s SER 239 N -0.87 4.81 1.17 12.60 1.04 -0.78 -4.97 113.70 126.70 3h90 s SER 239 Ca 0.01 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3h90 s SER 239 Cb -0.07 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.23 3h90 s SER 239 CO 0.01 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 3h90 n GLY 240 N 4.84 3.13 0.07 7.32 0.00 -1.26 -2.53 105.19 116.77 3h90 n GLY 240 Ca -0.16 0.27 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3h90 n GLY 240 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h90 h PRO 241 N 0.00 -0.02 -6.63 1.61 0.11 -1.94 -3.47 132.00 121.66 3h90 h PRO 241 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 3h90 h PRO 241 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 3h90 h PRO 241 CO 0.00 0.73 0.59 0.95 -0.21 0.00 0.00 178.00 180.06 3h90 s THR 242 N -2.45 3.53 -0.06 -1.15 -4.23 -1.05 -4.94 115.64 105.28 3h90 s THR 242 Ca -0.15 1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 61.57 3h90 s THR 242 Cb -0.02 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 3h90 s THR 242 CO 0.57 0.18 0.09 -0.13 -0.54 0.00 0.00 174.62 174.79 3h90 s ARG 243 N 0.05 3.21 -0.18 3.99 0.52 -1.26 -1.86 118.95 123.43 3h90 s ARG 243 Ca 0.55 -0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 55.38 3h90 s ARG 243 Cb -0.33 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 3h90 s ARG 243 CO 0.36 0.71 -0.01 -0.06 0.02 0.00 0.00 175.30 176.31 3h90 s PHE 244 N -1.08 3.06 -0.09 -0.53 0.40 0.31 -0.96 117.98 119.08 3h90 s PHE 244 Ca 0.19 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3h90 s PHE 244 Cb -0.12 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.41 3h90 s PHE 244 CO 0.09 -0.10 -0.08 0.42 0.70 0.00 0.00 175.22 176.25 3h90 s ILE 245 N 0.62 0.95 0.14 0.64 1.01 -0.43 -2.15 121.20 121.98 3h90 s ILE 245 Ca -0.01 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.41 3h90 s ILE 245 Cb -0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3h90 s ILE 245 CO 0.02 0.34 -0.16 0.00 0.00 0.00 0.00 174.94 175.14 3h90 s GLN 246 N 1.29 1.15 0.08 2.79 -2.07 -0.10 -1.10 119.66 121.69 3h90 s GLN 246 Ca -0.03 -1.33 -0.20 0.00 -1.82 0.00 0.00 55.36 51.98 3h90 s GLN 246 Cb -0.14 -1.10 0.05 0.00 -1.09 0.00 0.00 33.01 30.73 3h90 s GLN 246 CO -0.03 0.21 0.47 -1.50 -1.32 0.00 0.00 175.29 173.13 3h90 s ILE 247 N -2.15 0.04 -0.23 3.63 2.07 -1.10 -1.15 121.20 122.32 3h90 s ILE 247 Ca 0.13 -0.35 -0.07 0.00 -1.41 0.00 0.00 60.65 58.94 3h90 s ILE 247 Cb -0.05 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 3h90 s ILE 247 CO 0.05 -0.19 0.06 -1.00 -1.91 0.00 0.00 174.94 171.94 3h90 s HIS 248 N -2.98 3.10 -0.07 3.50 3.76 -0.74 -1.30 115.29 120.57 3h90 s HIS 248 Ca -0.02 -0.33 -0.09 0.00 -0.15 0.00 0.00 55.06 54.46 3h90 s HIS 248 Cb -0.00 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 3h90 s HIS 248 CO -0.06 -0.25 0.24 -0.51 -0.85 0.00 0.00 174.74 173.31 3h90 s LEU 249 N 1.33 4.42 -0.77 0.89 1.02 0.14 -1.41 118.68 124.30 3h90 s LEU 249 Ca 0.05 0.64 -0.09 0.00 0.02 0.00 0.00 54.13 54.75 3h90 s LEU 249 Cb -0.15 -2.30 0.20 0.00 0.02 0.00 0.00 46.19 43.96 3h90 s LEU 249 CO 0.03 0.37 0.66 -1.61 0.02 0.00 0.00 176.35 175.82 3h90 s GLU 250 N -1.12 3.22 0.82 1.70 2.02 0.11 -0.58 118.70 124.87 3h90 s GLU 250 Ca 0.19 -2.57 -0.10 0.00 0.02 0.00 0.00 54.97 52.51 3h90 s GLU 250 Cb -0.14 -4.15 0.12 0.00 0.10 0.00 0.00 34.13 30.07 3h90 s GLU 250 CO 0.08 -1.24 1.15 -1.64 0.02 0.00 0.00 175.26 173.63 3h90 s MET 251 N -0.07 1.53 0.02 1.61 -1.94 -0.73 -1.51 119.30 118.22 3h90 s MET 251 Ca 0.19 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.50 3h90 s MET 251 Cb -0.14 -2.04 -0.06 0.00 2.01 0.00 0.00 34.83 34.61 3h90 s MET 251 CO -0.07 -1.75 1.36 -2.00 -0.01 0.00 0.00 175.02 172.55 3h90 s GLU 252 N -5.52 4.31 0.17 2.03 2.12 -1.26 -4.20 118.70 116.35 3h90 s GLU 252 Ca 0.66 1.94 -0.07 0.00 0.36 0.00 0.00 54.97 57.85 3h90 s GLU 252 Cb -0.08 -3.48 0.24 0.00 0.26 0.00 0.00 34.13 31.07 3h90 s GLU 252 CO 0.48 -0.50 0.99 -3.47 -0.54 0.00 0.00 175.26 172.23 3h90 n ASP 253 N 4.91 -0.30 -0.21 -1.70 -0.08 -1.26 -1.39 116.55 116.52 3h90 n ASP 253 Ca 0.12 1.10 0.15 0.00 -1.51 0.00 0.00 54.79 54.65 3h90 n ASP 253 Cb 0.44 -0.30 0.67 0.00 2.34 0.00 0.00 41.12 44.27 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 -5.00 0.70 -4.77 1.67 3.41 -1.26 -4.93 113.62 103.44 3h90 n SER 254 Ca 0.09 -1.03 -0.41 0.00 -0.26 0.00 0.00 58.87 57.26 3h90 n SER 254 Cb 0.29 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3h90 n SER 254 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h90 s LEU 255 N -2.17 4.33 0.70 1.04 1.43 -0.49 -4.99 118.68 118.54 3h90 s LEU 255 Ca 0.37 3.00 -0.16 0.00 -1.03 0.00 0.00 54.13 56.31 3h90 s LEU 255 Cb 0.21 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.77 3h90 s LEU 255 CO 0.40 -0.84 1.06 -2.65 0.23 0.00 0.00 176.35 174.55 3h90 n PRO 256 N 0.71 0.64 -0.11 1.29 -0.02 -1.26 -4.82 135.00 131.42 3h90 n PRO 256 Ca 0.02 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 3h90 n PRO 256 Cb 0.39 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.09 0.56 -1.25 2.45 6.46 -1.98 -0.15 115.31 121.32 3h90 h LEU 257 Ca -0.48 -0.32 0.06 0.00 -0.12 0.00 0.00 57.88 57.02 3h90 h LEU 257 Cb 1.33 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 41.06 3h90 h LEU 257 CO 0.48 0.75 0.54 1.62 -0.62 0.00 0.00 178.44 181.21 3h90 h VAL 258 N 0.37 1.06 0.11 1.05 3.04 -1.99 0.38 116.25 120.27 3h90 h VAL 258 Ca 0.09 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 3h90 h VAL 258 Cb 0.47 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 3h90 h VAL 258 CO 0.02 0.17 -0.05 1.56 -1.01 0.00 0.00 177.57 178.25 3h90 h GLN 259 N 0.92 -0.14 -0.57 4.17 4.20 -1.89 -2.48 115.11 119.31 3h90 h GLN 259 Ca 0.35 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.19 3h90 h GLN 259 Cb 0.20 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.91 3h90 h GLN 259 CO -0.12 0.32 -0.04 0.00 -0.67 0.00 0.00 178.83 178.32 3h90 h ALA 260 N 0.09 0.51 -0.45 3.87 0.00 -0.18 -0.58 119.26 122.51 3h90 h ALA 260 Ca -0.02 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h90 h ALA 260 Cb 0.52 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3h90 h ALA 260 CO 0.02 -0.40 0.30 1.25 0.00 0.00 0.00 179.25 180.42 3h90 h HIS 261 N 0.08 0.47 0.32 0.00 -0.00 -0.31 -1.40 115.15 114.31 3h90 h HIS 261 Ca 0.29 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 3h90 h HIS 261 Cb 0.46 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 3h90 h HIS 261 CO -0.38 0.28 -0.17 1.98 -0.00 0.00 0.00 177.93 179.64 3h90 h MET 262 N 0.49 -0.43 -0.85 5.26 -1.53 -0.62 0.58 114.93 117.82 3h90 h MET 262 Ca 0.18 0.03 0.20 0.00 -3.44 0.00 0.00 59.70 56.67 3h90 h MET 262 Cb 0.12 0.10 -0.15 0.00 -0.55 0.00 0.00 31.60 31.11 3h90 h MET 262 CO -0.04 -0.29 -0.05 -0.24 0.14 0.00 0.00 176.91 176.43 3h90 h VAL 263 N -0.45 0.20 -0.42 -5.77 3.04 -1.30 0.24 116.25 111.79 3h90 h VAL 263 Ca -0.04 -0.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.60 3h90 h VAL 263 Cb 0.35 0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 3h90 h VAL 263 CO 0.06 0.01 0.13 0.00 -1.01 0.00 0.00 177.57 176.76 3h90 h ALA 264 N 1.83 1.44 -0.42 3.17 0.00 -1.04 -1.19 119.26 123.04 3h90 h ALA 264 Ca 0.47 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 3h90 h ALA 264 Cb 0.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3h90 h ALA 264 CO -0.80 0.42 -0.30 0.22 0.00 0.00 0.00 179.25 178.79 3h90 h ASP 265 N 0.61 0.99 0.16 0.00 1.82 0.34 -0.99 116.42 119.35 3h90 h ASP 265 Ca 0.14 -0.44 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 3h90 h ASP 265 Cb 0.19 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.92 3h90 h ASP 265 CO -0.01 1.22 -0.08 1.56 -1.61 0.00 0.00 179.24 180.32 3h90 h GLN 266 N 0.78 -0.21 -0.99 0.28 4.20 -0.63 0.27 115.11 118.80 3h90 h GLN 266 Ca 0.08 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.85 3h90 h GLN 266 Cb 0.89 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 3h90 h GLN 266 CO 0.08 -0.07 0.65 0.28 -0.67 0.00 0.00 178.83 179.10 3h90 h VAL 267 N -0.30 1.13 0.09 -0.54 2.07 -1.14 0.48 116.25 118.04 3h90 h VAL 267 Ca -0.02 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3h90 h VAL 267 Cb 0.23 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3h90 h VAL 267 CO 0.04 0.22 -0.04 -0.08 0.02 0.00 0.00 177.57 177.72 3h90 h GLU 268 N 1.22 -0.12 -0.58 1.57 4.81 -0.80 -2.32 114.58 118.35 3h90 h GLU 268 Ca 0.41 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3h90 h GLU 268 Cb 0.08 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3h90 h GLU 268 CO -0.14 -0.05 0.37 0.37 -0.73 0.00 0.00 179.01 178.83 3h90 h GLN 269 N -0.16 0.78 0.88 1.92 5.75 0.13 -1.27 115.11 123.14 3h90 h GLN 269 Ca -0.01 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3h90 h GLN 269 Cb 0.13 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.52 3h90 h GLN 269 CO 0.02 0.53 -0.43 0.00 -2.65 0.00 0.00 178.83 176.30 3h90 h ALA 270 N 1.61 -1.32 -0.97 3.38 0.00 0.06 -2.33 119.26 119.69 3h90 h ALA 270 Ca 0.21 -0.26 0.28 0.00 0.00 0.00 0.00 54.91 55.15 3h90 h ALA 270 Cb -0.07 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3h90 h ALA 270 CO -0.04 -1.23 0.71 0.82 0.00 0.00 0.00 179.25 179.50 3h90 h ILE 271 N -1.19 0.49 0.00 0.00 5.03 -0.86 0.72 117.51 121.71 3h90 h ILE 271 Ca -0.12 0.00 -0.13 0.00 -0.12 0.00 0.00 64.86 64.49 3h90 h ILE 271 Cb 0.91 0.50 -0.02 0.00 -3.03 0.00 0.00 36.82 35.19 3h90 h ILE 271 CO 0.20 0.00 -0.63 0.25 -0.68 0.00 0.00 178.15 177.29 3h90 h LEU 272 N 0.00 0.00 -0.13 1.44 5.85 -1.00 -2.04 115.31 119.43 3h90 h LEU 272 Ca 0.46 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 59.05 3h90 h LEU 272 Cb 1.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.91 3h90 h LEU 272 CO -0.00 0.63 -0.44 0.03 -0.34 0.00 0.00 178.44 178.32 3h90 h ARG 273 N 0.00 0.52 -0.33 1.25 2.47 -0.32 -3.25 114.38 114.73 3h90 h ARG 273 Ca -0.01 -0.39 -0.15 0.00 -1.26 0.00 0.00 59.98 58.17 3h90 h ARG 273 Cb 1.45 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.83 3h90 h ARG 273 CO 0.08 1.01 -0.40 0.00 0.56 0.00 0.00 179.97 181.23 3h90 h ARG 274 N 0.13 0.79 -3.21 0.04 2.47 -1.33 -3.30 114.38 109.97 3h90 h ARG 274 Ca -0.02 -0.42 -0.64 0.00 -1.26 0.00 0.00 59.98 57.65 3h90 h ARG 274 Cb 1.06 0.01 -0.41 0.00 -1.65 0.00 0.00 29.97 28.99 3h90 h ARG 274 CO 0.09 1.05 -0.52 -0.06 0.56 0.00 0.00 179.97 181.08 3h90 s PHE 275 N -4.33 3.50 0.77 3.04 0.08 -0.78 -5.09 117.98 115.17 3h90 s PHE 275 Ca -0.10 -3.24 -0.14 0.00 0.12 0.00 0.00 56.93 53.58 3h90 s PHE 275 Cb 0.12 -2.82 0.06 0.00 -0.57 0.00 0.00 43.02 39.81 3h90 s PHE 275 CO 0.86 -0.63 1.20 -1.25 -0.10 0.00 0.00 175.22 175.30 3h90 s PRO 276 N -1.09 1.91 0.00 0.24 0.04 -1.23 -2.24 135.00 132.63 3h90 s PRO 276 Ca 0.23 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3h90 s PRO 276 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3h90 s PRO 276 CO -0.11 -2.00 0.00 0.41 0.04 0.00 0.00 177.00 175.33 3h90 n GLY 277 N 0.37 2.75 3.46 0.56 0.00 -1.26 -4.92 105.19 106.15 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 0.56 -1.58 -3.67 1.61 7.64 -0.95 -4.53 113.62 112.69 3h90 n SER 278 Ca 0.00 -0.04 -0.26 0.00 1.01 0.00 0.00 58.87 59.58 3h90 n SER 278 Cb 0.00 -1.23 -0.17 0.00 -1.01 0.00 0.00 64.21 61.80 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 -2.30 2.50 0.23 6.43 2.15 -0.14 -4.90 116.67 120.64 3h90 s ASP 279 Ca 0.65 -0.65 0.09 0.00 0.43 0.00 0.00 52.55 53.08 3h90 s ASP 279 Cb -0.22 -0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 41.96 3h90 s ASP 279 CO 0.64 -0.32 -0.05 0.68 -0.17 0.00 0.00 175.17 175.95 3h90 s VAL 280 N 2.01 3.30 -0.13 1.11 -7.23 -1.26 -1.32 120.40 116.88 3h90 s VAL 280 Ca 0.01 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 3h90 s VAL 280 Cb -0.16 -2.71 0.06 0.00 0.56 0.00 0.00 36.38 34.13 3h90 s VAL 280 CO -0.08 -0.27 0.28 -0.51 -0.31 0.00 0.00 175.10 174.20 3h90 s ILE 281 N -2.09 -0.35 -0.24 -0.62 2.07 -0.26 -4.96 121.20 114.75 3h90 s ILE 281 Ca 0.29 0.24 -0.06 0.00 -1.41 0.00 0.00 60.65 59.71 3h90 s ILE 281 Cb -0.07 -0.45 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 3h90 s ILE 281 CO 0.18 0.10 0.02 -0.63 -1.91 0.00 0.00 174.94 172.70 3h90 s ILE 282 N 2.18 3.90 -0.15 2.00 -1.09 -1.26 -2.70 121.20 124.08 3h90 s ILE 282 Ca -0.01 -0.34 -0.23 0.00 -2.23 0.00 0.00 60.65 57.84 3h90 s ILE 282 Cb -0.12 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 3h90 s ILE 282 CO -0.09 0.35 0.71 -2.28 -1.23 0.00 0.00 174.94 172.40 3h90 s HIS 283 N 1.55 3.45 -0.23 3.97 5.65 -0.42 -4.98 115.29 124.29 3h90 s HIS 283 Ca 0.06 1.11 -0.09 0.00 0.25 0.00 0.00 55.06 56.39 3h90 s HIS 283 Cb -0.15 -2.86 -0.04 0.00 -1.18 0.00 0.00 32.58 28.35 3h90 s HIS 283 CO 0.01 -0.11 0.11 1.14 -0.65 0.00 0.00 174.74 175.23 3h90 s GLN 284 N 1.64 3.92 0.15 2.88 0.00 -1.26 -0.68 119.66 126.30 3h90 s GLN 284 Ca 0.34 -0.35 0.05 0.00 -0.00 0.00 0.00 55.36 55.40 3h90 s GLN 284 Cb -0.17 -3.38 -0.04 0.00 0.00 0.00 0.00 33.01 29.42 3h90 s GLN 284 CO 0.13 0.05 0.09 -0.51 0.00 0.00 0.00 175.29 175.05 3h90 s ASP 285 N 1.01 5.32 0.00 12.60 1.01 0.25 -4.94 116.67 131.93 3h90 s ASP 285 Ca 0.05 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.15 3h90 s ASP 285 Cb -0.14 -1.34 0.00 0.00 1.01 0.00 0.00 42.92 42.45 3h90 s ASP 285 CO 0.04 0.10 0.00 -2.65 0.21 0.00 0.00 175.17 172.86 3h90 n PRO 286 N -0.09 0.00 -3.53 8.23 -0.02 -1.26 -1.77 135.00 136.56 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 4.93 -1.62 -3.67 0.00 3.41 -1.26 -5.01 113.62 110.39 3h90 n SER 288 Ca -0.01 -3.55 -0.13 0.00 -0.26 0.00 0.00 58.87 54.92 3h90 n SER 288 Cb 0.41 1.35 -0.08 0.00 -0.26 0.00 0.00 64.21 65.62 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 -0.35 -0.00 -2.73 -3.33 -7.23 -1.26 -5.18 120.40 100.32 3h90 s VAL 289 Ca 0.26 0.00 0.26 0.00 -1.81 0.00 0.00 61.98 60.70 3h90 s VAL 289 Cb 0.30 -0.82 0.38 0.00 0.56 0.00 0.00 36.38 36.81 3h90 s VAL 289 CO -0.06 0.00 1.52 0.55 -0.31 0.00 0.00 175.10 176.80