#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h90 s VAL 9 N 0.00 1.95 0.00 1.47 1.01 -1.26 -5.10 120.40 118.47 3h90 s VAL 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3h90 s VAL 9 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3h90 s VAL 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.56 3h90 n SER 10 N -3.85 0.00 -1.51 3.32 3.41 -1.26 -4.93 113.62 108.80 3h90 n SER 10 Ca 0.09 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.78 3h90 n SER 10 Cb 0.59 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.00 3.58 0.06 4.33 5.12 -1.26 -3.37 116.66 125.12 3h90 n ARG 11 Ca 0.00 -2.63 0.11 0.00 -1.93 0.00 0.00 57.85 53.40 3h90 n ARG 11 Cb 0.00 -1.87 0.45 0.00 -1.16 0.00 0.00 32.46 29.88 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 1.00 1.94 -0.20 7.54 0.00 -1.26 -3.25 120.51 126.27 3h90 n ALA 12 Ca 0.24 -0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.83 3h90 n ALA 12 Cb 0.85 -1.38 0.50 0.00 0.00 0.00 0.00 19.45 19.41 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 2.53 2.13 0.21 0.00 0.00 -1.91 -0.39 119.26 121.82 3h90 h ALA 13 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 3h90 h ALA 13 Cb 0.45 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.21 3h90 h ALA 13 CO 0.00 -0.36 -1.28 -0.84 0.00 0.00 0.00 179.25 176.77 3h90 h ILE 14 N 0.43 1.32 -0.14 0.00 3.07 -1.85 -3.11 117.51 117.23 3h90 h ILE 14 Ca 0.40 -2.62 0.04 0.00 1.55 0.00 0.00 64.86 64.23 3h90 h ILE 14 Cb 0.94 3.07 -0.01 0.00 -0.27 0.00 0.00 36.82 40.55 3h90 h ILE 14 CO -0.14 0.78 0.12 0.00 -1.05 0.00 0.00 178.15 177.86 3h90 h ALA 15 N 0.12 1.94 0.62 0.16 0.00 -1.62 -1.86 119.26 118.61 3h90 h ALA 15 Ca -0.23 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3h90 h ALA 15 Cb 1.98 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.79 3h90 h ALA 15 CO 0.22 -0.19 -0.30 0.00 0.00 0.00 0.00 179.25 178.98 3h90 h ALA 16 N 1.89 -0.90 0.00 0.00 0.00 -1.09 -3.09 119.26 116.07 3h90 h ALA 16 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h90 h ALA 16 Cb 0.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h90 h ALA 16 CO -0.00 -0.84 0.00 -2.37 0.00 0.00 0.00 179.25 176.04 3h90 n THR 17 N -5.08 1.73 0.01 0.00 5.66 -0.93 -0.49 114.28 115.18 3h90 n THR 17 Ca -0.10 0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 61.27 3h90 n THR 17 Cb 0.33 -1.47 -0.09 0.00 -1.55 0.00 0.00 70.33 67.55 3h90 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h90 h ALA 18 N 2.06 -0.02 -0.59 1.79 0.00 -1.27 -2.90 119.26 118.34 3h90 h ALA 18 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3h90 h ALA 18 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h90 h ALA 18 CO 0.00 -0.35 -0.05 0.52 0.00 0.00 0.00 179.25 179.38 3h90 h MET 19 N -0.35 1.07 -1.11 0.00 2.86 -0.81 -2.99 114.93 113.60 3h90 h MET 19 Ca -0.00 -0.36 0.31 0.00 -2.06 0.00 0.00 59.70 57.59 3h90 h MET 19 Cb 0.34 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 3h90 h MET 19 CO 0.00 1.07 0.78 0.00 1.06 0.00 0.00 176.91 179.82 3h90 h ALA 20 N 0.96 2.85 0.00 6.32 0.00 -1.09 0.96 119.26 129.26 3h90 h ALA 20 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h90 h ALA 20 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3h90 h ALA 20 CO 0.04 -1.20 0.00 0.77 0.00 0.00 0.00 179.25 178.86 3h90 h SER 21 N 0.10 0.00 -0.11 0.00 0.02 -1.35 -2.57 113.55 109.64 3h90 h SER 21 Ca 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3h90 h SER 21 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 3h90 h SER 21 CO -0.09 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.78 3h90 n LEU 22 N -3.01 1.77 -0.28 5.07 4.32 0.33 -2.24 117.00 122.96 3h90 n LEU 22 Ca 0.03 -0.89 -0.00 0.00 -0.02 0.00 0.00 56.01 55.13 3h90 n LEU 22 Cb 0.46 -0.49 0.19 0.00 -1.62 0.00 0.00 43.42 41.96 3h90 n LEU 22 CO 0.32 0.31 1.26 0.25 -1.22 0.00 0.00 177.39 178.31 3h90 h LEU 23 N 0.75 0.98 -0.47 2.23 6.46 -1.41 -2.79 115.31 121.06 3h90 h LEU 23 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3h90 h LEU 23 Cb 0.72 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 3h90 h LEU 23 CO 0.08 0.71 0.00 -0.11 -0.62 0.00 0.00 178.44 178.50 3h90 n LEU 24 N -4.41 0.19 0.12 2.25 7.94 -0.95 0.17 117.00 122.31 3h90 n LEU 24 Ca 0.10 -0.09 -0.23 0.00 -1.11 0.00 0.00 56.01 54.68 3h90 n LEU 24 Cb 0.03 -0.09 -0.15 0.00 0.53 0.00 0.00 43.42 43.73 3h90 n LEU 24 CO 0.36 0.05 -0.29 0.25 -1.11 0.00 0.00 177.39 176.65 3h90 h LEU 25 N 0.29 0.72 -0.02 -1.96 5.85 -1.74 -3.18 115.31 115.27 3h90 h LEU 25 Ca 0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 3h90 h LEU 25 Cb 0.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3h90 h LEU 25 CO 0.00 1.67 0.00 0.16 -0.34 0.00 0.00 178.44 179.93 3h90 h ILE 26 N 0.13 0.00 0.00 4.05 3.07 -0.50 -3.05 117.51 121.20 3h90 h ILE 26 Ca -0.26 -0.92 -0.05 0.00 1.55 0.00 0.00 64.86 65.18 3h90 h ILE 26 Cb 2.13 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 40.59 3h90 h ILE 26 CO 0.24 0.00 -0.26 0.50 -1.05 0.00 0.00 178.15 177.59 3h90 h LYS 27 N 0.00 0.00 0.00 0.16 3.64 -1.67 0.17 116.57 118.87 3h90 h LYS 27 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3h90 h LYS 27 Cb 0.96 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3h90 h LYS 27 CO 0.00 0.24 -0.14 0.97 -2.27 0.00 0.00 179.45 178.25 3h90 h ILE 28 N 0.00 0.28 0.00 2.00 -0.00 -1.52 -3.27 117.51 115.01 3h90 h ILE 28 Ca -0.00 -1.15 -0.27 0.00 -0.00 0.00 0.00 64.86 63.43 3h90 h ILE 28 Cb 1.19 1.92 -0.05 0.00 -0.00 0.00 0.00 36.82 39.88 3h90 h ILE 28 CO 0.03 0.14 -1.82 0.33 -0.00 0.00 0.00 178.15 176.83 3h90 n PHE 29 N -3.18 0.73 1.09 2.19 7.35 -1.03 -3.85 117.46 120.75 3h90 n PHE 29 Ca 0.02 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 3h90 n PHE 29 Cb 0.50 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.23 3h90 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h90 n ALA 30 N -2.56 2.24 -2.50 3.13 0.00 0.56 -4.63 120.51 116.75 3h90 n ALA 30 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 3h90 n ALA 30 Cb 1.02 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.35 3.41 -0.10 0.00 -2.14 -1.25 -4.87 118.94 112.64 3h90 s TRP 31 Ca 0.00 0.35 -0.05 0.00 2.66 0.00 0.00 56.10 59.06 3h90 s TRP 31 Cb 0.00 -2.08 0.04 0.00 -3.10 0.00 0.00 33.47 28.33 3h90 s TRP 31 CO 0.00 -0.08 0.22 -1.58 -2.66 0.00 0.00 176.95 172.85 3h90 s TRP 32 N -2.44 -0.29 -0.05 1.66 0.23 -1.26 -4.97 118.94 111.82 3h90 s TRP 32 Ca 0.44 0.71 -0.04 0.00 -2.03 0.00 0.00 56.10 55.17 3h90 s TRP 32 Cb -0.10 0.03 -0.03 0.00 0.03 0.00 0.00 33.47 33.40 3h90 s TRP 32 CO 0.38 -0.21 -0.10 0.98 0.96 0.00 0.00 176.95 178.96 3h90 n TYR 33 N 4.10 0.00 0.47 -1.98 4.19 -1.25 -4.47 117.16 118.22 3h90 n TYR 33 Ca -0.24 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.10 3h90 n TYR 33 Cb 0.53 -0.24 0.44 0.00 0.49 0.00 0.00 39.34 40.55 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 -0.28 0.00 0.00 2.97 2.02 -1.99 -3.25 112.91 112.37 3h90 h THR 34 Ca -0.15 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3h90 h THR 34 Cb 0.93 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 3h90 h THR 34 CO -0.09 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.41 3h90 n GLY 35 N 0.72 0.28 3.45 2.16 0.00 -1.26 -4.94 105.19 105.60 3h90 n GLY 35 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3h90 n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h90 s SER 36 N -1.35 3.89 -0.24 1.61 0.01 -1.25 -5.04 113.70 111.33 3h90 s SER 36 Ca 0.00 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 3h90 s SER 36 Cb 0.00 -0.82 -0.07 0.00 0.21 0.00 0.00 66.02 65.34 3h90 s SER 36 CO 0.00 0.33 3.07 1.33 0.41 0.00 0.00 173.24 178.38 3h90 n VAL 37 N 2.39 3.11 -2.31 3.43 0.24 -1.23 -3.88 118.33 120.09 3h90 n VAL 37 Ca -0.17 -2.22 -0.25 0.00 -2.04 0.00 0.00 64.34 59.66 3h90 n VAL 37 Cb 0.52 -1.75 0.07 0.00 -1.47 0.00 0.00 33.84 31.21 3h90 n VAL 37 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3h90 s SER 38 N 1.09 4.79 -0.09 -1.34 0.01 -1.26 -5.10 113.70 111.79 3h90 s SER 38 Ca 0.59 0.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.12 3h90 s SER 38 Cb 0.34 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.67 3h90 s SER 38 CO -0.11 -1.58 -0.04 -0.63 0.41 0.00 0.00 173.24 171.29 3h90 s ILE 39 N -3.17 0.70 -0.21 1.44 1.09 -1.26 -4.89 121.20 114.89 3h90 s ILE 39 Ca 0.61 -0.09 -0.22 0.00 -1.10 0.00 0.00 60.65 59.84 3h90 s ILE 39 Cb -0.10 -0.78 0.06 0.00 -1.06 0.00 0.00 42.46 40.58 3h90 s ILE 39 CO 0.44 0.31 0.62 -0.22 -0.10 0.00 0.00 174.94 175.99 3h90 s LEU 40 N 1.78 -0.39 0.00 2.97 2.96 -1.26 -5.08 118.68 119.65 3h90 s LEU 40 Ca 0.04 1.19 0.20 0.00 -0.22 0.00 0.00 54.13 55.34 3h90 s LEU 40 Cb -0.13 2.17 0.55 0.00 0.50 0.00 0.00 46.19 49.28 3h90 s LEU 40 CO -0.06 -0.26 1.45 0.00 -1.32 0.00 0.00 176.35 176.16 3h90 n ALA 41 N 2.54 2.45 0.98 5.97 0.00 -1.26 -4.05 120.51 127.15 3h90 n ALA 41 Ca -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3h90 n ALA 41 Cb 0.56 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.94 2.01 -0.00 0.00 0.00 -1.26 -1.73 120.51 120.47 3h90 n ALA 42 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 3h90 n ALA 42 Cb 0.46 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.29 0.79 0.06 0.00 -0.00 -1.26 -3.96 117.00 112.34 3h90 n LEU 43 Ca 0.00 0.36 -0.13 0.00 -0.00 0.00 0.00 56.01 56.24 3h90 n LEU 43 Cb 0.04 0.15 -0.04 0.00 -0.00 0.00 0.00 43.42 43.57 3h90 n LEU 43 CO 0.00 0.28 0.21 0.58 -0.00 0.00 0.00 177.39 178.46 3h90 h VAL 44 N 0.00 1.40 -0.69 1.47 2.07 -1.66 -2.56 116.25 116.27 3h90 h VAL 44 Ca -0.24 -2.41 0.15 0.00 0.82 0.00 0.00 66.70 65.02 3h90 h VAL 44 Cb 1.82 2.37 -0.11 0.00 -1.52 0.00 0.00 31.29 33.86 3h90 h VAL 44 CO 0.06 0.72 0.13 -0.78 0.02 0.00 0.00 177.57 177.72 3h90 h ASP 45 N 0.24 -0.05 1.13 0.57 3.58 -1.69 0.31 116.42 120.52 3h90 h ASP 45 Ca -0.07 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3h90 h ASP 45 Cb 1.54 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.79 3h90 h ASP 45 CO 0.16 -0.05 -0.55 0.77 -2.88 0.00 0.00 179.24 176.69 3h90 h SER 46 N 0.24 0.00 0.16 2.28 4.64 -1.68 -2.53 113.55 116.65 3h90 h SER 46 Ca 0.38 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.43 3h90 h SER 46 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3h90 h SER 46 CO -0.50 0.05 -0.61 0.25 -0.87 0.00 0.00 176.83 175.15 3h90 h LEU 47 N 0.00 0.51 0.50 5.97 5.85 -0.71 -1.48 115.31 125.96 3h90 h LEU 47 Ca 0.00 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3h90 h LEU 47 Cb 0.84 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3h90 h LEU 47 CO 0.00 1.00 -0.24 0.58 -0.34 0.00 0.00 178.44 179.44 3h90 h VAL 48 N 0.33 0.50 -0.97 1.05 2.07 -0.44 -3.17 116.25 115.62 3h90 h VAL 48 Ca -0.01 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.61 3h90 h VAL 48 Cb 1.16 0.55 -0.11 0.00 -1.52 0.00 0.00 31.29 31.36 3h90 h VAL 48 CO 0.11 0.02 0.56 0.44 0.02 0.00 0.00 177.57 178.71 3h90 h ASP 49 N -0.73 0.68 -0.62 0.57 5.19 -1.30 0.64 116.42 120.85 3h90 h ASP 49 Ca -0.07 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3h90 h ASP 49 Cb 0.54 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.02 3h90 h ASP 49 CO 0.11 0.21 0.36 -0.29 -3.12 0.00 0.00 179.24 176.51 3h90 h ILE 50 N 0.67 1.19 0.01 0.35 2.10 -1.29 0.20 117.51 120.74 3h90 h ILE 50 Ca 0.57 -0.45 -0.00 0.00 1.08 0.00 0.00 64.86 66.06 3h90 h ILE 50 Cb 0.94 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 3h90 h ILE 50 CO -0.41 0.20 -0.00 1.23 -1.08 0.00 0.00 178.15 178.08 3h90 h GLY 51 N 0.84 -0.01 0.14 8.18 0.00 -1.00 -2.62 103.07 108.60 3h90 h GLY 51 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3h90 h GLY 51 CO -0.04 -0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.01 3h90 h ALA 52 N 0.30 -0.88 0.00 3.60 0.00 0.28 -1.01 119.26 121.55 3h90 h ALA 52 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3h90 h ALA 52 Cb 0.65 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3h90 h ALA 52 CO 0.00 -1.07 -0.29 0.77 0.00 0.00 0.00 179.25 178.67 3h90 h SER 53 N -0.70 0.00 -0.48 0.00 0.02 -0.74 -2.29 113.55 109.36 3h90 h SER 53 Ca 0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3h90 h SER 53 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3h90 h SER 53 CO -0.30 0.29 -0.14 0.25 -1.14 0.00 0.00 176.83 175.79 3h90 h LEU 54 N 0.00 0.96 -0.13 5.07 5.85 -1.05 -1.71 115.31 124.30 3h90 h LEU 54 Ca -0.00 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.37 3h90 h LEU 54 Cb 0.63 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3h90 h LEU 54 CO 0.04 1.11 0.02 0.74 -0.34 0.00 0.00 178.44 180.01 3h90 h THR 55 N 0.80 0.94 -0.86 1.05 2.02 -0.74 -1.86 112.91 114.26 3h90 h THR 55 Ca 0.12 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.45 3h90 h THR 55 Cb 0.70 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 3h90 h THR 55 CO 0.05 0.01 0.57 -1.13 0.37 0.00 0.00 175.52 175.39 3h90 h ASN 56 N 0.08 0.47 -0.42 4.18 -1.24 -1.20 0.30 115.58 117.75 3h90 h ASN 56 Ca 0.06 0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 3h90 h ASN 56 Cb 0.05 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3h90 h ASN 56 CO -0.08 0.21 -0.08 0.25 -1.29 0.00 0.00 177.43 176.44 3h90 h LEU 57 N 0.48 0.79 -0.78 0.34 5.85 -0.69 -0.01 115.31 121.30 3h90 h LEU 57 Ca 0.44 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3h90 h LEU 57 Cb 0.97 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3h90 h LEU 57 CO -0.17 0.95 0.37 -0.07 -0.34 0.00 0.00 178.44 179.18 3h90 h LEU 58 N 0.61 1.02 -0.13 2.25 3.38 0.24 -0.92 115.31 121.77 3h90 h LEU 58 Ca 0.11 -0.14 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3h90 h LEU 58 Cb 0.60 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3h90 h LEU 58 CO 0.04 0.87 -0.89 0.58 0.09 0.00 0.00 178.44 179.13 3h90 h VAL 59 N 1.10 1.30 0.00 1.22 2.07 -0.73 -1.36 116.25 119.85 3h90 h VAL 59 Ca 0.27 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.60 3h90 h VAL 59 Cb 0.13 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3h90 h VAL 59 CO -0.03 0.67 -0.21 -0.37 0.02 0.00 0.00 177.57 177.64 3h90 h VAL 60 N 0.43 0.72 -0.12 2.57 -1.51 -0.92 0.28 116.25 117.70 3h90 h VAL 60 Ca -0.08 -0.90 -0.21 0.00 -1.23 0.00 0.00 66.70 64.27 3h90 h VAL 60 Cb 1.52 1.56 0.01 0.00 -2.13 0.00 0.00 31.29 32.25 3h90 h VAL 60 CO 0.17 0.21 -0.78 -0.09 -1.23 0.00 0.00 177.57 175.85 3h90 h ARG 61 N 0.00 0.64 0.30 5.19 2.43 -0.99 -2.75 114.38 119.21 3h90 h ARG 61 Ca -0.00 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 3h90 h ARG 61 Cb 0.55 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3h90 h ARG 61 CO 0.03 1.16 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.53 3h90 h TYR 62 N 0.43 -0.51 -0.99 2.20 5.03 -0.83 -2.94 116.97 119.36 3h90 h TYR 62 Ca -0.05 -0.00 0.38 0.00 2.58 0.00 0.00 58.73 61.64 3h90 h TYR 62 Cb 1.39 0.18 -0.18 0.00 1.55 0.00 0.00 36.73 39.68 3h90 h TYR 62 CO 0.07 -0.30 0.42 0.45 -1.32 0.00 0.00 178.16 177.48 3h90 n SER 63 N -5.32 0.24 0.07 -2.11 2.88 0.05 -1.74 113.62 107.68 3h90 n SER 63 Ca -0.09 1.66 0.13 0.00 -1.33 0.00 0.00 58.87 59.23 3h90 n SER 63 Cb 0.23 -0.76 0.38 0.00 -0.75 0.00 0.00 64.21 63.31 3h90 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3h90 n LEU 64 N -5.30 0.61 -4.71 2.46 7.99 -1.04 -3.79 117.00 113.21 3h90 n LEU 64 Ca 0.34 0.43 -0.43 0.00 -0.01 0.00 0.00 56.01 56.35 3h90 n LEU 64 Cb 1.16 -0.32 -0.01 0.00 -0.11 0.00 0.00 43.42 44.15 3h90 n LEU 64 CO -0.01 -0.09 1.02 0.00 -1.51 0.00 0.00 177.39 176.80 3h90 n GLN 65 N -2.02 2.30 -0.93 3.23 6.02 -0.71 -4.99 117.38 120.28 3h90 n GLN 65 Ca 0.05 0.81 -0.23 0.00 -0.01 0.00 0.00 57.00 57.62 3h90 n GLN 65 Cb 0.41 -2.46 0.19 0.00 1.02 0.00 0.00 30.24 29.39 3h90 n GLN 65 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3h90 n PRO 66 N 1.05 -2.35 -1.50 -1.09 -0.02 -1.26 -4.19 135.00 125.64 3h90 n PRO 66 Ca 0.06 -1.39 -0.46 0.00 -2.02 0.00 0.00 63.50 59.69 3h90 n PRO 66 Cb 0.36 -1.22 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 3h90 n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h90 n ALA 67 N -4.30 1.17 -0.72 3.55 0.00 -1.26 -4.79 120.51 114.16 3h90 n ALA 67 Ca -0.16 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 3h90 n ALA 67 Cb 0.45 -2.74 0.25 0.00 0.00 0.00 0.00 19.45 17.41 3h90 n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h90 s ASP 68 N 8.50 0.65 0.01 0.00 2.15 -1.24 -4.94 116.67 121.80 3h90 s ASP 68 Ca 1.07 1.08 -0.22 0.00 0.43 0.00 0.00 52.55 54.92 3h90 s ASP 68 Cb -0.64 -1.64 -0.18 0.00 -0.30 0.00 0.00 42.92 40.16 3h90 s ASP 68 CO 0.42 -4.34 1.22 -0.78 -0.17 0.00 0.00 175.17 171.52 3h90 h ASP 69 N -2.72 0.34 -0.54 -0.34 1.82 -2.00 -3.33 116.42 109.64 3h90 h ASP 69 Ca -0.53 -0.60 -0.10 0.00 -0.39 0.00 0.00 57.03 55.41 3h90 h ASP 69 Cb 1.33 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 41.18 3h90 h ASP 69 CO 0.43 0.87 0.10 -0.46 -1.61 0.00 0.00 179.24 178.58 3h90 n ASN 70 N -4.52 4.66 -3.11 2.28 0.23 -1.26 -4.28 115.26 109.26 3h90 n ASN 70 Ca -0.08 -3.14 -0.21 0.00 -0.53 0.00 0.00 54.58 50.62 3h90 n ASN 70 Cb 0.43 -0.67 -0.03 0.00 -2.08 0.00 0.00 39.78 37.43 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 -0.12 1.42 0.29 -2.53 8.25 -1.25 -4.98 115.22 116.29 3h90 n HIS 71 Ca 0.32 -3.88 0.02 0.00 -0.26 0.00 0.00 57.72 53.93 3h90 n HIS 71 Cb 1.19 -0.44 0.13 0.00 1.12 0.00 0.00 29.99 31.99 3h90 n HIS 71 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3h90 n SER 72 N 0.13 0.00 0.00 0.41 3.41 -1.25 -3.63 113.62 112.68 3h90 n SER 72 Ca 0.27 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3h90 n SER 72 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3h90 n SER 72 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3h90 n PHE 73 N -0.98 0.00 -0.63 7.33 3.72 -1.26 -4.95 117.46 120.70 3h90 n PHE 73 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 3h90 n PHE 73 Cb 0.02 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.66 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 -2.77 0.52 1.37 0.00 -1.26 -4.46 105.19 103.60 3h90 n GLY 74 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.56 0.51 0.11 1.61 8.25 -1.26 -4.85 115.22 116.02 3h90 n HIS 75 Ca 0.06 -0.87 0.02 0.00 -0.26 0.00 0.00 57.72 56.67 3h90 n HIS 75 Cb 0.24 -0.22 0.36 0.00 1.12 0.00 0.00 29.99 31.49 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 1.06 0.27 1.50 -1.41 0.00 -1.77 -2.66 103.07 100.06 3h90 h GLY 76 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.22 3h90 h GLY 76 CO 0.11 0.16 0.18 0.50 0.00 0.00 0.00 176.54 177.50 3h90 h LYS 77 N 0.23 0.00 -1.03 4.80 1.79 -1.89 -1.81 116.57 118.66 3h90 h LYS 77 Ca 0.04 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.81 3h90 h LYS 77 Cb 0.44 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 3h90 h LYS 77 CO 0.03 0.00 0.82 0.00 -1.08 0.00 0.00 179.45 179.21 3h90 h ALA 78 N 1.86 2.92 0.80 3.86 0.00 -1.85 -2.10 119.26 124.76 3h90 h ALA 78 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3h90 h ALA 78 Cb 0.48 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3h90 h ALA 78 CO -0.00 -1.35 -0.38 0.93 0.00 0.00 0.00 179.25 178.45 3h90 h GLU 79 N 0.00 -1.03 -0.29 0.00 5.08 -1.55 -0.76 114.58 116.02 3h90 h GLU 79 Ca 0.49 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 3h90 h GLU 79 Cb 2.12 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 31.59 3h90 h GLU 79 CO -0.01 -0.68 0.20 0.77 -1.00 0.00 0.00 179.01 178.30 3h90 h SER 80 N -1.22 0.20 0.01 1.42 0.02 -1.59 0.45 113.55 112.84 3h90 h SER 80 Ca -0.11 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3h90 h SER 80 Cb 0.83 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3h90 h SER 80 CO 0.18 0.13 -0.00 0.25 -1.14 0.00 0.00 176.83 176.25 3h90 h LEU 81 N 0.23 -0.01 -0.41 5.07 5.85 -1.32 0.17 115.31 124.88 3h90 h LEU 81 Ca 0.13 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3h90 h LEU 81 Cb 0.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3h90 h LEU 81 CO -0.02 0.34 0.26 0.00 -0.34 0.00 0.00 178.44 178.67 3h90 h ALA 82 N 0.63 0.53 -0.50 1.25 0.00 -0.33 -1.01 119.26 119.83 3h90 h ALA 82 Ca -0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3h90 h ALA 82 Cb 0.35 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3h90 h ALA 82 CO 0.00 0.01 0.11 0.00 0.00 0.00 0.00 179.25 179.37 3h90 h ALA 83 N 1.12 0.57 -0.17 0.00 0.00 0.00 0.63 119.26 121.41 3h90 h ALA 83 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3h90 h ALA 83 Cb -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h90 h ALA 83 CO -0.03 -0.30 0.10 1.25 0.00 0.00 0.00 179.25 180.27 3h90 h LEU 84 N 0.24 0.21 -0.72 0.00 5.85 -0.31 0.47 115.31 121.05 3h90 h LEU 84 Ca 0.25 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3h90 h LEU 84 Cb 0.34 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3h90 h LEU 84 CO -0.32 0.20 0.45 0.00 -0.34 0.00 0.00 178.44 178.42 3h90 h ALA 85 N 1.02 0.94 -0.32 1.25 0.00 -0.47 -1.86 119.26 119.82 3h90 h ALA 85 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3h90 h ALA 85 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h90 h ALA 85 CO -0.01 0.23 0.13 1.96 0.00 0.00 0.00 179.25 181.55 3h90 h GLN 86 N 0.87 0.48 -0.91 0.00 4.20 -0.73 -3.07 115.11 115.94 3h90 h GLN 86 Ca 0.29 -0.09 0.17 0.00 0.06 0.00 0.00 58.65 59.09 3h90 h GLN 86 Cb 0.03 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.66 3h90 h GLN 86 CO -0.11 0.48 0.59 1.03 -0.67 0.00 0.00 178.83 180.15 3h90 h SER 87 N 0.37 0.58 0.19 1.46 0.87 -0.10 -0.30 113.55 116.63 3h90 h SER 87 Ca 0.11 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3h90 h SER 87 Cb 0.18 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3h90 h SER 87 CO -0.01 0.26 -0.09 0.24 -0.53 0.00 0.00 176.83 176.70 3h90 h MET 88 N 0.60 -0.25 0.04 2.24 2.86 -1.33 0.07 114.93 119.16 3h90 h MET 88 Ca 0.48 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.16 3h90 h MET 88 Cb 0.92 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 3h90 h MET 88 CO -0.22 0.14 -0.19 0.74 1.06 0.00 0.00 176.91 178.43 3h90 h PHE 89 N -0.73 -0.50 -0.94 -0.22 0.05 -1.39 0.74 116.94 113.94 3h90 h PHE 89 Ca -0.03 0.01 0.10 0.00 3.82 0.00 0.00 57.97 61.88 3h90 h PHE 89 Cb 0.50 0.22 -0.07 0.00 2.00 0.00 0.00 35.95 38.60 3h90 h PHE 89 CO 0.06 -0.28 0.61 0.82 -0.18 0.00 0.00 178.31 179.34 3h90 h ILE 90 N -0.33 0.98 -0.25 -0.55 2.04 -1.14 0.28 117.51 118.54 3h90 h ILE 90 Ca 0.04 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 3h90 h ILE 90 Cb 0.38 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3h90 h ILE 90 CO -0.15 0.18 -0.43 -1.28 0.00 0.00 0.00 178.15 176.46 3h90 h SER 91 N 0.97 0.66 0.54 1.72 0.87 0.01 -2.27 113.55 116.05 3h90 h SER 91 Ca 0.44 -0.31 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 3h90 h SER 91 Cb 0.39 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3h90 h SER 91 CO -0.20 1.01 -0.62 1.23 -0.53 0.00 0.00 176.83 177.72 3h90 h GLY 92 N 1.01 0.08 1.41 5.77 0.00 0.17 -2.54 103.07 108.97 3h90 h GLY 92 Ca 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3h90 h GLY 92 CO 0.09 0.09 -0.31 1.76 0.00 0.00 0.00 176.54 178.17 3h90 h SER 93 N 0.06 0.69 0.73 0.19 0.02 -0.34 -2.52 113.55 112.38 3h90 h SER 93 Ca -0.01 -0.28 -0.19 0.00 -0.84 0.00 0.00 61.79 60.47 3h90 h SER 93 Cb 1.10 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3h90 h SER 93 CO 0.09 0.96 -0.89 0.00 -1.14 0.00 0.00 176.83 175.84 3h90 h ALA 94 N 1.08 0.52 -0.16 3.77 0.00 -1.30 -1.35 119.26 121.83 3h90 h ALA 94 Ca 0.07 -0.76 -0.20 0.00 0.00 0.00 0.00 54.91 54.01 3h90 h ALA 94 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h90 h ALA 94 CO 0.07 1.00 -0.71 1.25 0.00 0.00 0.00 179.25 180.86 3h90 h LEU 95 N 0.05 0.80 -1.66 0.00 6.46 -1.51 -0.64 115.31 118.82 3h90 h LEU 95 Ca -0.03 -0.50 0.03 0.00 -0.12 0.00 0.00 57.88 57.26 3h90 h LEU 95 Cb 1.54 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.22 3h90 h LEU 95 CO 0.13 1.28 0.27 0.15 -0.62 0.00 0.00 178.44 179.65 3h90 h PHE 96 N 0.49 0.42 0.00 1.25 3.57 -1.35 -1.23 116.94 120.09 3h90 h PHE 96 Ca -0.03 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 3h90 h PHE 96 Cb 1.31 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3h90 h PHE 96 CO 0.07 0.25 -1.31 1.25 -2.23 0.00 0.00 178.31 176.34 3h90 h LEU 97 N 0.44 0.00 0.06 0.59 5.85 -1.06 -2.88 115.31 118.31 3h90 h LEU 97 Ca 0.16 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.62 3h90 h LEU 97 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3h90 h LEU 97 CO -0.04 0.63 -1.18 0.15 -0.34 0.00 0.00 178.44 177.66 3h90 h PHE 98 N 0.00 0.52 -0.01 1.25 3.57 -0.98 -1.15 116.94 120.14 3h90 h PHE 98 Ca -0.15 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 60.99 3h90 h PHE 98 Cb 1.61 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.32 3h90 h PHE 98 CO 0.00 1.25 -0.01 1.28 -2.23 0.00 0.00 178.31 178.60 3h90 n LEU 99 N -3.58 0.64 -0.01 0.59 7.99 -0.48 -1.59 117.00 120.57 3h90 n LEU 99 Ca -0.08 -0.19 0.11 0.00 -0.01 0.00 0.00 56.01 55.83 3h90 n LEU 99 Cb 0.98 -0.02 -0.16 0.00 -0.11 0.00 0.00 43.42 44.11 3h90 n LEU 99 CO 0.53 0.11 -0.64 0.41 -1.51 0.00 0.00 177.39 176.29 3h90 n THR 100 N -0.54 0.00 0.08 -5.08 -1.04 -1.09 -3.65 114.28 102.96 3h90 n THR 100 Ca 0.21 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 3h90 n THR 100 Cb 0.23 0.16 -0.08 0.00 -1.82 0.00 0.00 70.33 68.82 3h90 n THR 100 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3h90 h GLY 101 N 4.13 -0.20 1.99 3.41 0.00 -0.19 -2.68 103.07 109.54 3h90 h GLY 101 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3h90 h GLY 101 CO 0.00 -0.07 -0.01 0.16 0.00 0.00 0.00 176.54 176.62 3h90 h ILE 102 N -0.48 0.00 0.81 2.60 3.07 -1.64 -3.28 117.51 118.59 3h90 h ILE 102 Ca -0.02 -0.56 -0.04 0.00 1.55 0.00 0.00 64.86 65.79 3h90 h ILE 102 Cb 0.38 1.56 0.01 0.00 -0.27 0.00 0.00 36.82 38.49 3h90 h ILE 102 CO 0.03 0.00 -0.39 -0.61 -1.05 0.00 0.00 178.15 176.13 3h90 h GLN 103 N 0.00 -1.04 -2.18 0.16 4.15 -1.59 -2.97 115.11 111.64 3h90 h GLN 103 Ca 0.00 0.07 -0.68 0.00 0.77 0.00 0.00 58.65 58.81 3h90 h GLN 103 Cb 0.78 0.24 -0.21 0.00 0.21 0.00 0.00 27.48 28.50 3h90 h GLN 103 CO 0.00 -0.70 1.13 -2.39 -1.93 0.00 0.00 178.83 174.94 3h90 n HIS 104 N -5.48 2.41 -0.53 3.99 1.44 -1.02 -3.91 115.22 112.11 3h90 n HIS 104 Ca -0.13 -2.35 -0.05 0.00 -2.01 0.00 0.00 57.72 53.17 3h90 n HIS 104 Cb 0.43 -1.39 -0.08 0.00 0.12 0.00 0.00 29.99 29.07 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 0.49 3.25 -3.85 2.39 -0.00 -1.12 -4.39 117.00 113.77 3h90 n LEU 105 Ca 0.53 -1.97 -0.24 0.00 -0.00 0.00 0.00 56.01 54.32 3h90 n LEU 105 Cb 0.34 -0.83 0.01 0.00 -0.00 0.00 0.00 43.42 42.94 3h90 n LEU 105 CO 0.49 0.79 -0.12 -0.38 -0.00 0.00 0.00 177.39 178.17 3h90 n ILE 106 N 2.42 -3.49 -0.09 1.96 5.41 -1.26 -4.97 119.36 119.34 3h90 n ILE 106 Ca 0.19 -0.43 -0.15 0.00 1.00 0.00 0.00 62.75 63.37 3h90 n ILE 106 Cb 0.50 -3.13 -0.08 0.00 -0.71 0.00 0.00 39.64 36.22 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 -1.86 0.00 0.00 4.38 0.02 -1.78 -3.43 113.55 110.88 3h90 h SER 107 Ca -0.62 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 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 1.17 0.00 -2.65 -1.14 0.00 0.00 176.83 174.82 3h90 n PRO 108 N -4.53 0.00 -3.66 3.45 -0.02 -1.26 -5.07 135.00 123.91 3h90 n PRO 108 Ca -0.21 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.24 3h90 n PRO 108 Cb 0.50 -0.11 -0.01 0.00 -0.02 0.00 0.00 33.50 33.86 3h90 n PRO 108 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h90 s THR 109 N 0.00 0.00 -0.96 3.45 -4.23 -1.26 -5.04 115.64 107.60 3h90 s THR 109 Ca 0.00 -0.39 -0.26 0.00 -1.18 0.00 0.00 61.69 59.86 3h90 s THR 109 Cb 0.00 -1.70 -0.18 0.00 1.34 0.00 0.00 72.50 71.97 3h90 s THR 109 CO 0.00 0.00 2.23 -2.84 -0.54 0.00 0.00 174.62 173.47 3h90 s PRO 110 N -3.04 1.45 0.02 3.99 0.02 -1.26 -4.74 135.00 131.44 3h90 s PRO 110 Ca 0.11 -0.06 0.04 0.00 0.02 0.00 0.00 61.00 61.11 3h90 s PRO 110 Cb -0.00 -4.91 -0.24 0.00 0.02 0.00 0.00 34.50 29.36 3h90 s PRO 110 CO -0.02 -4.93 0.90 0.52 -0.33 0.00 0.00 177.00 173.14 3h90 h MET 111 N 11.99 0.11 -5.53 5.54 2.86 -1.98 -3.41 114.93 124.50 3h90 h MET 111 Ca 0.02 -0.19 -0.22 0.00 -2.06 0.00 0.00 59.70 57.26 3h90 h MET 111 Cb 1.00 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 3h90 h MET 111 CO 1.03 0.90 0.59 0.99 1.06 0.00 0.00 176.91 181.48 3h90 s THR 112 N -2.63 3.34 -0.08 2.22 2.01 -1.26 -4.61 115.64 114.63 3h90 s THR 112 Ca -0.05 -0.38 0.09 0.00 0.31 0.00 0.00 61.69 61.65 3h90 s THR 112 Cb 0.08 -3.92 -0.12 0.00 0.01 0.00 0.00 72.50 68.55 3h90 s THR 112 CO 0.83 -0.68 0.06 0.47 -0.69 0.00 0.00 174.62 174.62 3h90 n ASP 113 N 15.59 2.72 -4.56 3.53 10.43 -1.26 -4.94 116.55 138.07 3h90 n ASP 113 Ca 0.43 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.38 3h90 n ASP 113 Cb 0.46 0.85 -0.04 0.00 1.84 0.00 0.00 41.12 44.23 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 -2.26 1.36 -1.26 -0.24 -0.02 -1.26 -4.83 135.00 126.49 3h90 n PRO 114 Ca -0.13 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 3h90 n PRO 114 Cb 0.71 -3.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.00 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 6.00 3.69 0.96 -1.23 0.00 -1.26 -4.93 105.19 108.42 3h90 n GLY 115 Ca 0.36 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 4.63 0.00 -1.74 1.61 0.24 -1.26 -4.82 118.33 116.99 3h90 n VAL 116 Ca 0.57 -0.14 -0.18 0.00 -2.04 0.00 0.00 64.34 62.55 3h90 n VAL 116 Cb 0.29 -1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 31.45 3h90 n VAL 116 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h90 s GLY 117 N -3.10 -0.61 0.00 7.63 0.00 -1.26 -4.74 107.32 105.24 3h90 s GLY 117 Ca 0.19 -1.37 0.08 0.00 0.00 0.00 0.00 44.72 43.63 3h90 s GLY 117 CO 0.15 4.02 1.20 1.55 0.00 0.00 0.00 173.10 180.02 3h90 n VAL 118 N 8.57 0.00 0.27 1.40 3.14 -1.26 -3.70 118.33 126.75 3h90 n VAL 118 Ca 0.44 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.93 3h90 n VAL 118 Cb 0.46 -0.22 0.74 0.00 -1.06 0.00 0.00 33.84 33.76 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 0.68 0.33 1.55 -2.65 -2.01 -2.77 117.51 112.64 3h90 h ILE 119 Ca 0.00 -0.34 -0.02 0.00 1.03 0.00 0.00 64.86 65.53 3h90 h ILE 119 Cb 0.00 1.21 0.00 0.00 -2.05 0.00 0.00 36.82 35.98 3h90 h ILE 119 CO 0.00 0.08 -0.16 -0.37 0.03 0.00 0.00 178.15 177.73 3h90 h VAL 120 N 0.00 0.68 0.00 0.16 -1.51 -1.90 -2.50 116.25 111.18 3h90 h VAL 120 Ca -0.00 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 3h90 h VAL 120 Cb 0.20 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 3h90 h VAL 120 CO 0.01 0.09 -0.10 0.71 -1.23 0.00 0.00 177.57 177.04 3h90 h THR 121 N -0.70 0.31 0.10 7.19 1.35 -1.79 0.84 112.91 120.21 3h90 h THR 121 Ca -0.05 -0.70 -0.26 0.00 -0.55 0.00 0.00 66.41 64.85 3h90 h THR 121 Cb 0.49 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3h90 h THR 121 CO 0.08 0.10 -1.16 0.16 -0.25 0.00 0.00 175.52 174.45 3h90 h ILE 122 N 0.00 1.47 -0.02 6.82 3.07 -1.56 -1.48 117.51 125.81 3h90 h ILE 122 Ca -0.00 -2.89 -0.00 0.00 1.55 0.00 0.00 64.86 63.52 3h90 h ILE 122 Cb 0.53 2.80 -0.00 0.00 -0.27 0.00 0.00 36.82 39.88 3h90 h ILE 122 CO 0.01 0.85 -0.00 0.58 -1.05 0.00 0.00 178.15 178.54 3h90 h VAL 123 N 0.12 1.29 -0.42 0.16 2.07 -0.87 -2.95 116.25 115.65 3h90 h VAL 123 Ca -0.12 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.61 3h90 h VAL 123 Cb 1.86 1.86 -0.09 0.00 -1.52 0.00 0.00 31.29 33.40 3h90 h VAL 123 CO 0.19 0.23 -0.23 0.00 0.02 0.00 0.00 177.57 177.79 3h90 h ALA 124 N 0.64 0.05 -0.36 1.67 0.00 0.61 -1.35 119.26 120.52 3h90 h ALA 124 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3h90 h ALA 124 Cb 0.38 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3h90 h ALA 124 CO 0.00 -0.59 -0.41 1.25 0.00 0.00 0.00 179.25 179.49 3h90 h LEU 125 N -0.15 -1.36 0.36 0.00 5.85 -1.29 -1.16 115.31 117.56 3h90 h LEU 125 Ca 0.20 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 3h90 h LEU 125 Cb 0.46 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3h90 h LEU 125 CO -0.51 -0.37 -0.25 0.40 -0.34 0.00 0.00 178.44 177.37 3h90 h ILE 126 N -0.34 0.48 -0.81 4.05 1.08 -1.20 0.29 117.51 121.07 3h90 h ILE 126 Ca 0.13 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.73 3h90 h ILE 126 Cb 0.58 0.48 -0.09 0.00 -3.07 0.00 0.00 36.82 34.73 3h90 h ILE 126 CO -0.54 0.00 0.41 0.00 -0.69 0.00 0.00 178.15 177.33 3h90 h THR 128 N 0.63 1.34 -0.55 0.00 2.02 -0.89 -1.74 112.91 113.72 3h90 h THR 128 Ca 0.42 -1.65 0.11 0.00 0.77 0.00 0.00 66.41 66.07 3h90 h THR 128 Cb 0.54 1.96 -0.09 0.00 -1.74 0.00 0.00 68.15 68.82 3h90 h THR 128 CO -0.33 0.50 0.03 0.40 0.37 0.00 0.00 175.52 176.50 3h90 h ILE 129 N 0.21 0.59 0.59 3.11 1.08 0.14 0.94 117.51 124.17 3h90 h ILE 129 Ca -0.00 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 3h90 h ILE 129 Cb 1.00 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3h90 h ILE 129 CO 0.09 0.03 -0.50 0.40 -0.69 0.00 0.00 178.15 177.47 3h90 h ILE 130 N 0.15 0.01 -0.39 -0.67 2.04 -0.96 -2.00 117.51 115.69 3h90 h ILE 130 Ca 0.28 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.23 3h90 h ILE 130 Cb 0.43 0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 3h90 h ILE 130 CO -0.44 0.00 -0.22 0.25 0.00 0.00 0.00 178.15 177.74 3h90 h LEU 131 N -1.07 -0.74 -0.93 1.44 5.85 -0.75 -0.47 115.31 118.64 3h90 h LEU 131 Ca -0.08 0.16 0.17 0.00 0.84 0.00 0.00 57.88 58.97 3h90 h LEU 131 Cb 0.91 0.39 -0.10 0.00 0.37 0.00 0.00 40.66 42.22 3h90 h LEU 131 CO -0.01 -0.25 0.52 0.58 -0.34 0.00 0.00 178.44 178.94 3h90 h VAL 132 N -0.16 0.71 -0.52 1.05 2.07 -0.73 0.98 116.25 119.65 3h90 h VAL 132 Ca 0.19 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3h90 h VAL 132 Cb 0.45 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3h90 h VAL 132 CO -0.48 0.13 0.09 0.28 0.02 0.00 0.00 177.57 177.60 3h90 h SER 133 N 0.70 0.83 0.03 0.57 0.02 -0.33 0.43 113.55 115.79 3h90 h SER 133 Ca 0.52 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3h90 h SER 133 Cb 0.78 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3h90 h SER 133 CO -0.38 0.88 -0.02 0.15 -1.14 0.00 0.00 176.83 176.32 3h90 h PHE 134 N 0.75 -0.04 -0.96 3.45 3.57 -0.36 0.22 116.94 123.57 3h90 h PHE 134 Ca 0.16 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3h90 h PHE 134 Cb 0.40 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3h90 h PHE 134 CO 0.03 0.05 0.63 1.96 -2.23 0.00 0.00 178.31 178.74 3h90 h GLN 135 N -0.12 1.18 0.00 1.11 4.20 -0.69 0.17 115.11 120.96 3h90 h GLN 135 Ca -0.00 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 3h90 h GLN 135 Cb 0.11 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3h90 h GLN 135 CO 0.01 0.78 -0.26 -0.09 -0.67 0.00 0.00 178.83 178.60 3h90 h ARG 136 N 1.22 0.00 -0.08 1.46 2.43 0.36 0.11 114.38 119.87 3h90 h ARG 136 Ca 0.38 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.35 3h90 h ARG 136 Cb 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3h90 h ARG 136 CO -0.12 0.26 -0.74 2.35 -1.51 0.00 0.00 179.97 180.20 3h90 h TRP 137 N 0.00 0.91 -0.68 2.20 7.01 0.14 -2.77 115.95 122.76 3h90 h TRP 137 Ca -0.00 -0.44 -0.06 0.00 2.11 0.00 0.00 58.89 60.50 3h90 h TRP 137 Cb 0.48 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 3h90 h TRP 137 CO 0.00 1.25 0.18 0.28 -2.79 0.00 0.00 178.44 177.36 3h90 h VAL 138 N 0.31 1.26 -0.88 2.65 2.07 -0.22 -2.55 116.25 118.89 3h90 h VAL 138 Ca -0.07 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3h90 h VAL 138 Cb 1.39 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3h90 h VAL 138 CO 0.15 0.36 0.45 0.58 0.02 0.00 0.00 177.57 179.13 3h90 h VAL 139 N 1.01 1.26 0.00 2.57 2.07 -0.86 0.16 116.25 122.46 3h90 h VAL 139 Ca 0.21 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3h90 h VAL 139 Cb 0.35 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3h90 h VAL 139 CO -0.00 0.30 -0.09 -0.09 0.02 0.00 0.00 177.57 177.71 3h90 h ARG 140 N 1.24 0.00 0.04 1.57 2.43 -1.30 -3.26 114.38 115.10 3h90 h ARG 140 Ca 0.30 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.10 3h90 h ARG 140 Cb 0.07 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3h90 h ARG 140 CO -0.04 0.09 -2.30 -2.13 -1.51 0.00 0.00 179.97 174.08 3h90 n ARG 141 N -3.20 0.69 -3.67 0.20 3.00 -0.98 -4.86 116.66 107.85 3h90 n ARG 141 Ca 0.01 0.19 -0.23 0.00 -0.00 0.00 0.00 57.85 57.82 3h90 n ARG 141 Cb 0.39 -1.59 -0.18 0.00 0.00 0.00 0.00 32.46 31.09 3h90 n ARG 141 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3h90 s THR 142 N -2.53 -0.01 -1.37 5.15 -1.32 0.52 -5.05 115.64 111.03 3h90 s THR 142 Ca -0.29 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3h90 s THR 142 Cb 0.08 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.70 3h90 s THR 142 CO 0.67 0.02 0.67 0.00 -2.21 0.00 0.00 174.62 173.78 3h90 n GLN 143 N 5.26 0.00 -0.18 7.08 1.13 -1.23 -4.11 117.38 125.33 3h90 n GLN 143 Ca -0.05 0.20 -0.09 0.00 -1.94 0.00 0.00 57.00 55.13 3h90 n GLN 143 Cb 0.50 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 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 -1.17 0.11 0.17 1.08 2.88 -1.26 -4.82 113.62 110.60 3h90 n SER 144 Ca 0.00 0.10 0.03 0.00 -1.33 0.00 0.00 58.87 57.67 3h90 n SER 144 Cb 0.03 -0.13 0.43 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.31 0.11 -0.37 -1.46 4.20 -1.92 -2.43 115.11 114.56 3h90 h GLN 145 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3h90 h GLN 145 Cb 0.21 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3h90 h GLN 145 CO 0.16 0.30 0.21 0.00 -0.67 0.00 0.00 178.83 178.83 3h90 h ALA 146 N 1.71 0.47 0.00 3.87 0.00 -1.88 0.57 119.26 123.99 3h90 h ALA 146 Ca 0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3h90 h ALA 146 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3h90 h ALA 146 CO 0.03 -0.02 -1.06 -0.39 0.00 0.00 0.00 179.25 177.80 3h90 h VAL 147 N 0.47 1.64 -0.32 0.00 -1.51 -1.93 -2.90 116.25 111.72 3h90 h VAL 147 Ca 0.13 -3.36 -0.10 0.00 -1.23 0.00 0.00 66.70 62.13 3h90 h VAL 147 Cb 0.03 2.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 3h90 h VAL 147 CO -0.02 0.94 -0.23 -0.09 -1.23 0.00 0.00 177.57 176.93 3h90 h ARG 148 N 0.00 0.61 0.23 5.19 2.43 -1.16 0.22 114.38 121.90 3h90 h ARG 148 Ca -0.04 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3h90 h ARG 148 Cb 1.79 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3h90 h ARG 148 CO 0.13 0.80 -0.11 0.00 -1.51 0.00 0.00 179.97 179.27 3h90 h ALA 149 N 1.21 -0.31 -0.93 2.80 0.00 -0.94 -1.91 119.26 119.18 3h90 h ALA 149 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3h90 h ALA 149 Cb 0.69 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3h90 h ALA 149 CO 0.05 -0.62 0.61 0.22 0.00 0.00 0.00 179.25 179.50 3h90 h ASP 150 N -0.42 1.02 -0.49 0.00 3.58 -1.27 -1.94 116.42 116.90 3h90 h ASP 150 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3h90 h ASP 150 Cb 0.32 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3h90 h ASP 150 CO 0.05 0.71 0.31 -0.03 -2.88 0.00 0.00 179.24 177.40 3h90 h MET 151 N 1.19 0.66 -0.96 0.28 4.05 -0.52 -2.63 114.93 117.00 3h90 h MET 151 Ca 0.36 -0.05 0.19 0.00 -0.28 0.00 0.00 59.70 59.92 3h90 h MET 151 Cb -0.03 -0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 30.54 3h90 h MET 151 CO -0.11 0.46 0.61 1.25 0.23 0.00 0.00 176.91 179.35 3h90 h LEU 152 N 0.66 0.64 -0.42 3.39 5.85 -0.53 0.14 115.31 125.04 3h90 h LEU 152 Ca 0.18 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3h90 h LEU 152 Cb -0.03 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3h90 h LEU 152 CO -0.04 0.26 0.19 -0.74 -0.34 0.00 0.00 178.44 177.77 3h90 h HIS 153 N 0.64 0.62 0.00 1.25 2.76 -1.37 -2.83 115.15 116.22 3h90 h HIS 153 Ca 0.52 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.52 3h90 h HIS 153 Cb 0.96 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3h90 h HIS 153 CO -0.00 0.52 -0.64 1.88 -1.30 0.00 0.00 177.93 178.39 3h90 h TYR 154 N 0.54 0.00 -0.35 5.26 -1.99 -0.85 -1.47 116.97 118.11 3h90 h TYR 154 Ca 0.14 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.95 3h90 h TYR 154 Cb 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 3h90 h TYR 154 CO -0.01 0.64 0.25 1.96 -0.00 0.00 0.00 178.16 181.00 3h90 h GLN 155 N 0.00 0.11 -0.02 4.88 4.20 -0.74 0.14 115.11 123.67 3h90 h GLN 155 Ca -0.01 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3h90 h GLN 155 Cb 1.16 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3h90 h GLN 155 CO 0.08 0.07 -0.28 1.03 -0.67 0.00 0.00 178.83 179.06 3h90 h SER 156 N 0.11 0.29 -0.77 1.46 0.87 -1.04 -3.08 113.55 111.39 3h90 h SER 156 Ca 0.16 -0.72 0.08 0.00 -1.23 0.00 0.00 61.79 60.09 3h90 h SER 156 Cb 0.52 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 3h90 h SER 156 CO -0.02 0.96 0.50 0.44 -0.53 0.00 0.00 176.83 178.19 3h90 h ASP 157 N -0.36 0.66 0.34 6.23 5.19 -0.78 -0.28 116.42 127.41 3h90 h ASP 157 Ca -0.03 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3h90 h ASP 157 Cb 0.98 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.36 3h90 h ASP 157 CO 0.06 0.40 -0.07 0.58 -3.12 0.00 0.00 179.24 177.09 3h90 h VAL 158 N 0.73 0.41 -0.58 -1.35 2.07 -0.75 -3.14 116.25 113.64 3h90 h VAL 158 Ca 0.34 -0.38 -0.71 0.00 0.82 0.00 0.00 66.70 66.77 3h90 h VAL 158 Cb 0.38 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3h90 h VAL 158 CO -0.13 0.07 3.03 0.23 0.02 0.00 0.00 177.57 180.80 3h90 n MET 159 N -3.51 3.91 -4.26 1.57 2.81 -0.12 -4.91 117.12 112.61 3h90 n MET 159 Ca -0.02 -2.86 -0.35 0.00 -1.81 0.00 0.00 57.70 52.66 3h90 n MET 159 Cb 0.20 -2.82 -0.10 0.00 -0.71 0.00 0.00 33.22 29.80 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 0.90 3.31 -0.70 0.03 1.75 -1.19 -5.03 119.30 118.36 3h90 s MET 160 Ca 0.58 -0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.64 3h90 s MET 160 Cb 0.17 -2.93 0.17 0.00 2.84 0.00 0.00 34.83 35.08 3h90 s MET 160 CO -0.07 0.57 0.51 -0.80 -0.65 0.00 0.00 175.02 174.58 3h90 s ASN 161 N -0.50 5.18 -0.19 1.11 0.01 -1.26 -4.51 114.94 114.79 3h90 s ASN 161 Ca 0.09 -3.33 0.11 0.00 -0.71 0.00 0.00 52.86 49.02 3h90 s ASN 161 Cb -0.12 -1.79 0.66 0.00 0.41 0.00 0.00 41.25 40.42 3h90 s ASN 161 CO 0.02 -0.23 1.51 0.61 -1.51 0.00 0.00 177.10 177.50 3h90 n GLY 162 N 2.78 2.68 0.87 0.66 0.00 -1.26 -3.95 105.19 106.97 3h90 n GLY 162 Ca 0.13 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 0.53 2.77 -2.48 4.61 0.00 -1.26 -4.80 120.51 119.88 3h90 n ALA 163 Ca 0.22 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 3h90 n ALA 163 Cb 1.00 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.67 3.99 0.37 0.00 -4.36 -1.25 -5.00 121.20 113.27 3h90 s ILE 164 Ca 0.24 0.96 -0.28 0.00 -0.26 0.00 0.00 60.65 61.31 3h90 s ILE 164 Cb 0.15 -4.47 -0.11 0.00 1.25 0.00 0.00 42.46 39.28 3h90 s ILE 164 CO 0.12 -1.03 1.51 0.18 0.24 0.00 0.00 174.94 175.97 3h90 n LEU 165 N 8.62 4.76 -0.10 0.37 4.77 -1.26 -4.94 117.00 129.22 3h90 n LEU 165 Ca 0.13 1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 57.18 3h90 n LEU 165 Cb 0.49 -1.62 -0.08 0.00 -2.33 0.00 0.00 43.42 39.87 3h90 n LEU 165 CO 0.71 0.18 -1.13 0.00 -1.33 0.00 0.00 177.39 175.83 3h90 n LEU 166 N 0.72 2.68 0.00 2.23 -0.00 -1.26 -3.79 117.00 117.57 3h90 n LEU 166 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3h90 n LEU 166 Cb 0.39 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 3h90 n LEU 166 CO 0.64 0.74 0.22 0.00 -0.00 0.00 0.00 177.39 178.99 3h90 n ALA 167 N -3.22 -0.15 -0.34 1.47 0.00 -1.26 -3.79 120.51 113.22 3h90 n ALA 167 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 3h90 n ALA 167 Cb 0.84 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.41 3h90 n ALA 167 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h90 h LEU 168 N 0.00 1.01 0.00 0.00 -0.00 -2.00 -3.46 115.31 110.85 3h90 h LEU 168 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3h90 h LEU 168 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.42 3h90 h LEU 168 CO 0.00 0.70 0.00 0.61 -0.00 0.00 0.00 178.44 179.75 3h90 n GLY 169 N -1.35 2.85 3.75 0.83 0.00 -1.25 -4.29 105.19 105.74 3h90 n GLY 169 Ca 0.12 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3h90 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h90 s LEU 170 N 0.00 4.46 0.88 0.99 1.02 -1.26 -4.74 118.68 120.02 3h90 s LEU 170 Ca 0.00 2.40 -0.11 0.00 0.02 0.00 0.00 54.13 56.44 3h90 s LEU 170 Cb 0.00 -3.62 0.12 0.00 0.02 0.00 0.00 46.19 42.71 3h90 s LEU 170 CO 0.00 -0.41 1.09 -0.44 0.02 0.00 0.00 176.35 176.62 3h90 s SER 171 N -0.17 3.63 0.03 2.29 0.01 -1.26 -4.93 113.70 113.30 3h90 s SER 171 Ca 0.51 1.56 -0.33 0.00 1.31 0.00 0.00 55.95 59.00 3h90 s SER 171 Cb -0.35 -2.24 -0.12 0.00 0.21 0.00 0.00 66.02 63.52 3h90 s SER 171 CO 0.42 -2.55 1.81 0.79 0.41 0.00 0.00 173.24 174.13 3h90 n TRP 172 N -3.83 2.40 -1.68 2.43 8.01 -1.26 -4.67 117.44 118.84 3h90 n TRP 172 Ca 0.07 -0.02 -0.37 0.00 -1.31 0.00 0.00 57.50 55.88 3h90 n TRP 172 Cb 0.55 -2.67 0.07 0.00 -2.01 0.00 0.00 31.31 27.25 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 5.80 1.63 0.00 -5.99 4.01 -1.26 -2.83 117.16 118.52 3h90 n TYR 173 Ca 0.20 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 58.36 3h90 n TYR 173 Cb 0.32 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.12 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 1.00 2.59 2.28 2.72 0.00 -1.26 -4.92 105.19 107.60 3h90 n GLY 174 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.78 -0.77 -1.20 1.61 -0.00 -1.13 -5.14 117.44 109.03 3h90 n TRP 175 Ca 0.00 -3.33 -0.32 0.00 -0.00 0.00 0.00 57.50 53.85 3h90 n TRP 175 Cb 0.00 -0.05 0.11 0.00 -0.00 0.00 0.00 31.31 31.37 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 -0.75 2.17 -0.15 5.87 -3.43 -1.26 -4.43 115.29 113.30 3h90 s HIS 176 Ca 0.34 1.64 -0.13 0.00 -0.80 0.00 0.00 55.06 56.12 3h90 s HIS 176 Cb 0.14 -3.25 0.04 0.00 -1.43 0.00 0.00 32.58 28.08 3h90 s HIS 176 CO -0.14 -2.28 0.40 0.50 -2.00 0.00 0.00 174.74 171.22 3h90 s ARG 177 N -4.48 0.44 0.00 -0.38 3.52 -1.26 -4.82 118.95 111.98 3h90 s ARG 177 Ca 0.67 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 3h90 s ARG 177 Cb -0.22 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 3h90 s ARG 177 CO 0.52 -0.08 0.00 0.00 -0.81 0.00 0.00 175.30 174.93 3h90 n ALA 178 N 3.20 0.00 0.37 6.12 0.00 -1.26 -4.60 120.51 124.34 3h90 n ALA 178 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 3h90 n ALA 178 Cb 0.57 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.28 0.00 3.32 -1.97 -3.40 116.42 114.09 3h90 h ASP 179 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3h90 h ASP 179 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3h90 h ASP 179 CO 0.00 0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.30 3h90 h ALA 180 N 2.19 -0.34 -0.15 3.45 0.00 -1.83 1.04 119.26 123.62 3h90 h ALA 180 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h90 h ALA 180 Cb 0.83 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 3h90 h ALA 180 CO 0.00 -0.48 0.30 1.25 0.00 0.00 0.00 179.25 180.32 3h90 h LEU 181 N -0.07 0.00 0.02 0.00 6.46 -1.87 0.37 115.31 120.21 3h90 h LEU 181 Ca 0.05 0.00 -0.39 0.00 -0.12 0.00 0.00 57.88 57.42 3h90 h LEU 181 Cb 0.19 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.07 3h90 h LEU 181 CO -0.30 0.00 -2.25 0.49 -0.62 0.00 0.00 178.44 175.76 3h90 n PHE 182 N -3.33 0.36 0.23 1.25 3.01 -0.15 -3.04 117.46 115.79 3h90 n PHE 182 Ca 0.01 0.11 0.10 0.00 1.01 0.00 0.00 57.45 58.68 3h90 n PHE 182 Cb 0.40 -1.04 0.51 0.00 -0.01 0.00 0.00 39.48 39.34 3h90 n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h90 h ALA 183 N -0.41 1.07 0.05 4.37 0.00 0.16 -2.44 119.26 122.06 3h90 h ALA 183 Ca -0.57 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 3h90 h ALA 183 Cb 1.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3h90 h ALA 183 CO -0.20 0.26 -0.78 1.25 0.00 0.00 0.00 179.25 179.78 3h90 h LEU 184 N 0.00 0.17 -1.74 0.00 6.46 -0.47 -3.16 115.31 116.57 3h90 h LEU 184 Ca -0.00 -0.84 -0.01 0.00 -0.12 0.00 0.00 57.88 56.91 3h90 h LEU 184 Cb 0.66 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3h90 h LEU 184 CO 0.03 1.33 0.06 1.23 -0.62 0.00 0.00 178.44 180.47 3h90 h GLY 185 N -0.63 0.24 0.54 3.75 0.00 -1.49 -1.28 103.07 104.20 3h90 h GLY 185 Ca -0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3h90 h GLY 185 CO -0.01 0.10 -0.16 -2.22 0.00 0.00 0.00 176.54 174.25 3h90 h ILE 186 N 0.23 1.46 -0.98 2.60 2.04 -1.61 -2.99 117.51 118.25 3h90 h ILE 186 Ca 0.06 -1.59 0.26 0.00 1.00 0.00 0.00 64.86 64.59 3h90 h ILE 186 Cb 0.06 2.38 -0.13 0.00 -0.74 0.00 0.00 36.82 38.39 3h90 h ILE 186 CO -0.01 0.44 0.55 1.23 0.00 0.00 0.00 178.15 180.36 3h90 h GLY 187 N -0.37 1.88 0.41 5.37 0.00 -1.24 0.72 103.07 109.84 3h90 h GLY 187 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3h90 h GLY 187 CO 0.03 -0.30 -0.20 -2.22 0.00 0.00 0.00 176.54 173.86 3h90 h ILE 188 N 0.50 0.00 -0.89 2.60 2.04 -1.38 -2.92 117.51 117.46 3h90 h ILE 188 Ca 0.65 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 66.27 3h90 h ILE 188 Cb 1.29 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3h90 h ILE 188 CO -0.51 0.00 0.58 0.22 0.00 0.00 0.00 178.15 178.43 3h90 h TYR 189 N -0.85 1.01 -0.17 1.37 3.20 -1.24 -0.24 116.97 120.05 3h90 h TYR 189 Ca -0.06 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.70 3h90 h TYR 189 Cb 0.42 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3h90 h TYR 189 CO 0.04 0.52 -0.44 0.82 -1.64 0.00 0.00 178.16 177.46 3h90 h ILE 190 N 0.98 1.34 -0.80 1.81 1.08 -1.03 -1.79 117.51 119.10 3h90 h ILE 190 Ca 0.39 -1.69 0.01 0.00 -0.39 0.00 0.00 64.86 63.18 3h90 h ILE 190 Cb 0.24 1.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3h90 h ILE 190 CO -0.15 0.52 0.53 0.25 -0.69 0.00 0.00 178.15 178.61 3h90 h LEU 191 N 0.25 0.91 -0.31 1.44 5.85 -1.14 0.30 115.31 122.62 3h90 h LEU 191 Ca -0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3h90 h LEU 191 Cb 1.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3h90 h LEU 191 CO 0.09 0.66 0.12 0.22 -0.34 0.00 0.00 178.44 179.20 3h90 h TYR 192 N 1.08 0.47 0.00 1.25 3.20 -1.12 -2.17 116.97 119.67 3h90 h TYR 192 Ca 0.29 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 3h90 h TYR 192 Cb -0.12 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3h90 h TYR 192 CO -0.02 0.45 -0.27 0.77 -1.64 0.00 0.00 178.16 177.45 3h90 h SER 193 N 0.35 0.00 1.51 -2.11 0.02 -0.71 -1.83 113.55 110.78 3h90 h SER 193 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3h90 h SER 193 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3h90 h SER 193 CO -0.01 0.27 -0.29 0.00 -1.14 0.00 0.00 176.83 175.67 3h90 h ALA 194 N 1.73 0.84 0.03 3.77 0.00 -0.25 -2.37 119.26 123.00 3h90 h ALA 194 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3h90 h ALA 194 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3h90 h ALA 194 CO 0.04 0.00 -1.10 -0.07 0.00 0.00 0.00 179.25 178.12 3h90 h LEU 195 N 0.00 0.08 -1.64 0.00 3.38 -1.09 -2.78 115.31 113.26 3h90 h LEU 195 Ca 0.00 -0.68 0.18 0.00 0.09 0.00 0.00 57.88 57.48 3h90 h LEU 195 Cb 0.90 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3h90 h LEU 195 CO 0.00 1.44 0.54 -0.09 0.09 0.00 0.00 178.44 180.43 3h90 h ARG 196 N -0.83 0.31 0.16 1.13 9.65 -1.45 -0.03 114.38 123.33 3h90 h ARG 196 Ca -0.28 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 3h90 h ARG 196 Cb 1.36 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3h90 h ARG 196 CO -0.11 0.21 -0.08 1.98 2.80 0.00 0.00 179.97 184.77 3h90 h MET 197 N 0.32 -0.21 0.00 0.20 4.05 -1.52 -3.13 114.93 114.65 3h90 h MET 197 Ca 0.40 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.77 3h90 h MET 197 Cb 1.09 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 3h90 h MET 197 CO -0.12 0.09 -0.31 0.78 0.23 0.00 0.00 176.91 177.58 3h90 h GLY 198 N -0.51 0.00 0.68 1.39 0.00 -0.97 -2.71 103.07 100.95 3h90 h GLY 198 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3h90 h GLY 198 CO 0.04 0.00 -0.15 -1.82 0.00 0.00 0.00 176.54 174.61 3h90 h TYR 199 N 0.00 -0.38 -1.03 5.60 3.20 -1.13 -1.41 116.97 121.82 3h90 h TYR 199 Ca -0.00 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.12 3h90 h TYR 199 Cb 0.97 0.13 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 3h90 h TYR 199 CO 0.00 -0.05 0.62 0.93 -1.64 0.00 0.00 178.16 178.02 3h90 h GLU 200 N -0.74 0.48 -0.48 1.82 5.08 -1.48 0.19 114.58 119.46 3h90 h GLU 200 Ca -0.04 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3h90 h GLU 200 Cb 0.50 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3h90 h GLU 200 CO 0.07 0.31 0.11 0.00 -1.00 0.00 0.00 179.01 178.50 3h90 h ALA 201 N 1.71 0.63 -0.34 3.43 0.00 -1.24 -2.19 119.26 121.25 3h90 h ALA 201 Ca 0.65 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 3h90 h ALA 201 Cb 1.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3h90 h ALA 201 CO -0.43 0.32 -0.39 -0.39 0.00 0.00 0.00 179.25 178.36 3h90 h VAL 202 N 0.65 1.28 -0.03 0.00 -1.51 0.12 -2.03 116.25 114.73 3h90 h VAL 202 Ca 0.15 -1.57 0.01 0.00 -1.23 0.00 0.00 66.70 64.06 3h90 h VAL 202 Cb 0.34 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3h90 h VAL 202 CO 0.00 0.52 0.03 1.56 -1.23 0.00 0.00 177.57 178.45 3h90 h GLN 203 N 0.68 0.00 0.00 5.19 1.08 -0.63 0.15 115.11 121.57 3h90 h GLN 203 Ca 0.06 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.09 3h90 h GLN 203 Cb 0.96 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 3h90 h GLN 203 CO 0.09 0.00 -1.26 0.77 -0.95 0.00 0.00 178.83 177.48 3h90 h SER 204 N 0.00 0.00 -0.18 1.46 0.02 -1.12 -3.01 113.55 110.73 3h90 h SER 204 Ca 0.01 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 3h90 h SER 204 Cb 0.08 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.63 3h90 h SER 204 CO -0.00 0.62 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.56 3h90 h LEU 205 N 0.00 0.90 -9.68 5.07 3.38 -0.12 -3.37 115.31 111.49 3h90 h LEU 205 Ca -0.14 -0.61 -0.52 0.00 0.09 0.00 0.00 57.88 56.70 3h90 h LEU 205 Cb 1.59 -0.27 0.04 0.00 0.09 0.00 0.00 40.66 42.11 3h90 h LEU 205 CO 0.06 1.36 0.69 -0.76 0.09 0.00 0.00 178.44 179.88 3h90 s LEU 206 N -8.52 4.40 -1.12 1.67 1.02 0.27 -4.91 118.68 111.49 3h90 s LEU 206 Ca -0.11 2.47 -0.19 0.00 0.02 0.00 0.00 54.13 56.32 3h90 s LEU 206 Cb 0.08 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.63 3h90 s LEU 206 CO 0.89 -0.59 2.01 0.47 0.02 0.00 0.00 176.35 179.15 3h90 n ASP 207 N 2.73 3.34 -4.77 2.29 10.43 -1.26 -4.69 116.55 124.61 3h90 n ASP 207 Ca 0.07 -2.77 -0.41 0.00 2.57 0.00 0.00 54.79 54.26 3h90 n ASP 207 Cb 0.42 -1.45 -0.03 0.00 1.84 0.00 0.00 41.12 41.90 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 4.45 4.47 0.81 -1.24 3.52 -1.13 -4.85 118.95 124.97 3h90 s ARG 208 Ca 0.55 2.06 -0.11 0.00 -0.13 0.00 0.00 55.73 58.09 3h90 s ARG 208 Cb 0.11 -3.12 0.08 0.00 -1.56 0.00 0.00 34.95 30.47 3h90 s ARG 208 CO 0.04 -0.03 1.12 0.00 -0.81 0.00 0.00 175.30 175.62 3h90 s ALA 209 N -1.14 1.98 0.74 6.12 0.00 -1.26 -4.24 121.76 123.97 3h90 s ALA 209 Ca 0.47 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 3h90 s ALA 209 Cb -0.37 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.44 3h90 s ALA 209 CO 0.48 -2.10 1.11 -0.51 0.00 0.00 0.00 175.76 174.74 3h90 s LEU 210 N -6.06 3.17 0.56 0.00 1.43 -1.26 -4.89 118.68 111.63 3h90 s LEU 210 Ca 0.64 1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 55.48 3h90 s LEU 210 Cb -0.20 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 3h90 s LEU 210 CO 0.55 -1.97 1.15 -0.81 0.23 0.00 0.00 176.35 175.50 3h90 n PRO 211 N -3.11 1.28 -0.31 1.29 -0.04 -1.26 -4.65 135.00 128.19 3h90 n PRO 211 Ca 0.10 0.48 0.18 0.00 -0.04 0.00 0.00 63.50 64.22 3h90 n PRO 211 Cb 0.52 -2.34 0.44 0.00 -0.04 0.00 0.00 33.50 32.09 3h90 n PRO 211 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3h90 h ASP 212 N 0.98 0.56 -0.11 3.54 5.19 -1.98 -0.35 116.42 124.25 3h90 h ASP 212 Ca -0.49 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.04 3h90 h ASP 212 Cb 1.34 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.77 3h90 h ASP 212 CO 0.54 0.17 -0.23 -0.08 -3.12 0.00 0.00 179.24 176.52 3h90 h GLU 213 N 0.53 -0.30 -0.49 3.56 4.57 -1.99 0.26 114.58 120.73 3h90 h GLU 213 Ca 0.56 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.68 3h90 h GLU 213 Cb 1.20 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 3h90 h GLU 213 CO -0.30 -0.20 -0.01 0.93 -1.18 0.00 0.00 179.01 178.25 3h90 h GLU 214 N -0.31 0.87 -0.74 1.92 5.08 -1.43 -1.59 114.58 118.38 3h90 h GLU 214 Ca 0.09 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3h90 h GLU 214 Cb 0.45 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3h90 h GLU 214 CO -0.29 0.91 0.40 -0.09 -1.00 0.00 0.00 179.01 178.95 3h90 h ARG 215 N 0.73 1.03 -0.41 2.33 2.43 -1.15 -1.03 114.38 118.30 3h90 h ARG 215 Ca 0.14 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3h90 h ARG 215 Cb 0.53 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3h90 h ARG 215 CO 0.03 0.75 0.08 0.37 -1.51 0.00 0.00 179.97 179.69 3h90 h GLN 216 N 1.03 0.67 -0.43 0.20 5.75 -0.13 -2.69 115.11 119.51 3h90 h GLN 216 Ca 0.26 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3h90 h GLN 216 Cb 0.03 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3h90 h GLN 216 CO -0.04 0.70 0.13 0.93 -2.65 0.00 0.00 178.83 177.90 3h90 h GLU 217 N 0.53 0.67 -0.51 1.69 5.08 -0.59 -1.69 114.58 119.75 3h90 h GLU 217 Ca 0.13 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3h90 h GLU 217 Cb 0.35 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3h90 h GLU 217 CO 0.01 0.66 0.20 0.82 -1.00 0.00 0.00 179.01 179.70 3h90 h ILE 218 N 0.55 0.86 -0.51 3.13 2.04 -1.24 -0.92 117.51 121.41 3h90 h ILE 218 Ca 0.14 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3h90 h ILE 218 Cb 0.27 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3h90 h ILE 218 CO -0.00 0.07 0.22 -0.29 0.00 0.00 0.00 178.15 178.15 3h90 h ILE 219 N 0.40 1.18 -0.04 -0.67 6.09 -1.07 -1.62 117.51 121.78 3h90 h ILE 219 Ca 0.24 -0.54 -0.24 0.00 -1.37 0.00 0.00 64.86 62.95 3h90 h ILE 219 Cb 0.24 0.55 0.02 0.00 0.47 0.00 0.00 36.82 38.09 3h90 h ILE 219 CO -0.23 0.22 -0.91 0.44 -3.07 0.00 0.00 178.15 174.60 3h90 h ASP 220 N 0.73 0.87 -0.35 2.19 3.32 -0.60 -2.35 116.42 120.24 3h90 h ASP 220 Ca 0.18 -0.71 0.04 0.00 0.02 0.00 0.00 57.03 56.55 3h90 h ASP 220 Cb 0.11 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3h90 h ASP 220 CO -0.02 1.46 0.13 0.40 -1.72 0.00 0.00 179.24 179.49 3h90 h ILE 221 N 0.37 0.92 0.04 0.35 2.04 -0.96 -2.94 117.51 117.32 3h90 h ILE 221 Ca -0.10 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3h90 h ILE 221 Cb 1.57 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3h90 h ILE 221 CO 0.18 0.05 -0.02 0.58 0.00 0.00 0.00 178.15 178.95 3h90 h VAL 222 N 0.29 1.13 0.00 1.67 2.07 -1.26 -3.18 116.25 116.96 3h90 h VAL 222 Ca 0.15 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 3h90 h VAL 222 Cb 0.12 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3h90 h VAL 222 CO -0.15 0.14 -0.61 0.71 0.02 0.00 0.00 177.57 177.68 3h90 h THR 223 N -0.29 0.99 0.01 2.57 1.35 -1.44 -3.13 112.91 112.98 3h90 h THR 223 Ca -0.01 -2.41 -0.22 0.00 -0.55 0.00 0.00 66.41 63.23 3h90 h THR 223 Cb 0.26 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.14 3h90 h THR 223 CO 0.01 0.57 -1.04 0.77 -0.25 0.00 0.00 175.52 175.57 3h90 h SER 224 N 0.00 0.03 -1.95 5.36 4.64 -1.62 -3.47 113.55 116.54 3h90 h SER 224 Ca -0.01 -0.03 -0.64 0.00 -0.47 0.00 0.00 61.79 60.63 3h90 h SER 224 Cb 1.45 -0.01 0.06 0.00 -0.31 0.00 0.00 62.40 63.60 3h90 h SER 224 CO 0.08 1.03 0.51 1.87 -0.87 0.00 0.00 176.83 179.44 3h90 n TRP 225 N -3.35 1.70 -0.01 4.77 -0.00 -1.18 -4.92 117.44 114.45 3h90 n TRP 225 Ca -0.01 0.54 -0.00 0.00 -0.00 0.00 0.00 57.50 58.03 3h90 n TRP 225 Cb 0.95 -2.38 -0.00 0.00 -0.00 0.00 0.00 31.31 29.88 3h90 n TRP 225 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3h90 n PRO 226 N 2.54 -0.01 0.06 5.87 -0.02 -1.26 -2.73 135.00 139.45 3h90 n PRO 226 Ca 0.17 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 3h90 n PRO 226 Cb 0.23 -0.93 0.53 0.00 -0.02 0.00 0.00 33.50 33.31 3h90 n PRO 226 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h90 h GLY 227 N 0.00 0.35 -4.45 -1.23 0.00 -1.94 -3.44 103.07 92.36 3h90 h GLY 227 Ca 0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 47.33 46.68 3h90 h GLY 227 CO -0.02 0.10 0.57 -1.34 0.00 0.00 0.00 176.54 175.85 3h90 s VAL 228 N -5.30 3.95 -0.11 4.60 -7.23 -1.10 -4.76 120.40 110.44 3h90 s VAL 228 Ca -0.07 1.42 0.14 0.00 -1.81 0.00 0.00 61.98 61.66 3h90 s VAL 228 Cb 0.18 -3.91 -0.24 0.00 0.56 0.00 0.00 36.38 32.97 3h90 s VAL 228 CO 0.72 0.12 0.42 -1.20 -0.31 0.00 0.00 175.10 174.85 3h90 n SER 229 N 3.78 0.63 -3.73 4.85 7.64 0.18 -4.90 113.62 122.07 3h90 n SER 229 Ca 0.09 0.25 -0.05 0.00 1.01 0.00 0.00 58.87 60.16 3h90 n SER 229 Cb 0.46 0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.92 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 -5.29 -0.25 -0.02 0.23 0.00 -1.14 -4.97 107.32 95.87 3h90 s GLY 230 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3h90 s GLY 230 CO 0.82 0.03 0.02 0.00 0.00 0.00 0.00 173.10 173.98 3h90 s ALA 231 N -3.37 0.08 0.00 3.20 0.00 -1.26 0.97 121.76 121.38 3h90 s ALA 231 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3h90 s ALA 231 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3h90 s ALA 231 CO 0.01 -0.09 0.00 -2.39 0.00 0.00 0.00 175.76 173.29 3h90 n HIS 232 N 4.03 0.00 -1.79 0.00 1.44 -0.91 -4.99 115.22 113.01 3h90 n HIS 232 Ca -0.26 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.03 3h90 n HIS 232 Cb 0.51 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.60 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 0.61 6.19 -0.27 4.39 3.68 -1.26 -4.76 116.67 125.24 3h90 s ASP 233 Ca 0.00 2.18 -0.00 0.00 2.13 0.00 0.00 52.55 56.86 3h90 s ASP 233 Cb 0.00 -2.53 0.08 0.00 -1.45 0.00 0.00 42.92 39.03 3h90 s ASP 233 CO 0.00 -1.33 0.04 -0.22 0.13 0.00 0.00 175.17 173.79 3h90 s LEU 234 N 5.61 2.39 -0.16 -1.34 1.98 -1.26 -1.98 118.68 123.93 3h90 s LEU 234 Ca 0.86 -1.41 -0.02 0.00 -2.89 0.00 0.00 54.13 50.67 3h90 s LEU 234 Cb -0.35 -0.98 -0.02 0.00 0.66 0.00 0.00 46.19 45.51 3h90 s LEU 234 CO 0.36 -0.34 -0.07 -0.13 -1.89 0.00 0.00 176.35 174.27 3h90 s ARG 235 N 1.53 3.48 0.17 1.98 0.52 0.12 -4.98 118.95 121.77 3h90 s ARG 235 Ca 0.04 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.69 3h90 s ARG 235 Cb -0.18 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 3h90 s ARG 235 CO -0.15 0.12 -0.11 0.95 0.02 0.00 0.00 175.30 176.13 3h90 s THR 236 N 0.64 1.32 0.00 0.02 -4.23 -1.26 -0.91 115.64 111.23 3h90 s THR 236 Ca -0.04 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3h90 s THR 236 Cb -0.15 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3h90 s THR 236 CO 0.02 -0.68 0.00 -2.11 -0.54 0.00 0.00 174.62 171.31 3h90 n ARG 237 N -0.26 0.00 -4.56 3.99 1.85 -0.94 -3.98 116.66 112.76 3h90 n ARG 237 Ca -0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.54 3h90 n ARG 237 Cb 0.61 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.86 3h90 n ARG 237 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 3h90 s GLN 238 N -2.00 1.11 -0.50 2.89 -2.07 -1.26 0.10 119.66 117.93 3h90 s GLN 238 Ca 0.00 -0.44 -0.10 0.00 -1.82 0.00 0.00 55.36 53.01 3h90 s GLN 238 Cb 0.00 -1.04 0.13 0.00 -1.09 0.00 0.00 33.01 31.00 3h90 s GLN 238 CO 0.00 0.23 0.39 -1.54 -1.32 0.00 0.00 175.29 173.05 3h90 s SER 239 N -0.13 5.78 1.62 12.60 1.04 -0.71 -4.96 113.70 128.94 3h90 s SER 239 Ca 0.02 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 54.46 3h90 s SER 239 Cb -0.07 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.02 3h90 s SER 239 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3h90 n GLY 240 N 4.83 2.97 0.11 7.32 0.00 -1.23 -3.31 105.19 115.87 3h90 n GLY 240 Ca -0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 0.14 -6.03 1.61 0.14 -1.93 -3.45 132.00 122.47 3h90 h PRO 241 Ca 0.00 -0.17 -0.57 0.00 0.14 0.00 0.00 66.00 65.41 3h90 h PRO 241 Cb 0.00 0.05 -0.06 0.00 0.14 0.00 0.00 31.00 31.13 3h90 h PRO 241 CO 0.00 0.95 -0.02 0.95 0.14 0.00 0.00 178.00 180.01 3h90 s THR 242 N -3.10 4.96 -0.01 1.56 -4.23 -1.21 -4.96 115.64 108.65 3h90 s THR 242 Ca -0.02 1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 61.56 3h90 s THR 242 Cb 0.10 -3.92 -0.06 0.00 1.34 0.00 0.00 72.50 69.96 3h90 s THR 242 CO 0.82 0.40 0.42 -0.13 -0.54 0.00 0.00 174.62 175.59 3h90 s ARG 243 N -0.03 3.98 -0.15 3.99 0.52 -1.26 -1.74 118.95 124.26 3h90 s ARG 243 Ca 0.31 0.42 -0.06 0.00 -0.52 0.00 0.00 55.73 55.88 3h90 s ARG 243 Cb -0.18 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3h90 s ARG 243 CO 0.16 0.63 0.06 -0.06 0.02 0.00 0.00 175.30 176.11 3h90 s PHE 244 N -0.88 3.30 -0.04 -0.53 0.40 0.28 -0.10 117.98 120.41 3h90 s PHE 244 Ca 0.24 0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.76 3h90 s PHE 244 Cb -0.17 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.42 3h90 s PHE 244 CO 0.13 0.35 0.02 0.42 0.70 0.00 0.00 175.22 176.84 3h90 s ILE 245 N -0.24 0.15 0.00 0.64 1.01 0.56 -2.22 121.20 121.10 3h90 s ILE 245 Ca 0.08 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.99 3h90 s ILE 245 Cb -0.12 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3h90 s ILE 245 CO 0.01 0.19 -0.20 0.00 0.00 0.00 0.00 174.94 174.94 3h90 s GLN 246 N 1.62 1.57 0.05 2.79 -2.07 -0.09 -0.48 119.66 123.05 3h90 s GLN 246 Ca -0.01 -0.78 -0.13 0.00 -1.82 0.00 0.00 55.36 52.62 3h90 s GLN 246 Cb -0.13 -1.56 0.02 0.00 -1.09 0.00 0.00 33.01 30.24 3h90 s GLN 246 CO -0.03 0.42 0.28 -1.50 -1.32 0.00 0.00 175.29 173.14 3h90 s ILE 247 N -0.56 0.09 -0.15 3.63 2.07 -0.97 -0.70 121.20 124.60 3h90 s ILE 247 Ca 0.08 -0.74 -0.06 0.00 -1.41 0.00 0.00 60.65 58.52 3h90 s ILE 247 Cb -0.08 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 3h90 s ILE 247 CO -0.00 -0.41 0.06 -1.00 -1.91 0.00 0.00 174.94 171.68 3h90 s HIS 248 N -2.62 3.28 -0.12 3.50 3.76 -0.84 -0.88 115.29 121.37 3h90 s HIS 248 Ca -0.04 0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 3h90 s HIS 248 Cb -0.01 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 3h90 s HIS 248 CO -0.04 0.31 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.84 3h90 s LEU 249 N -0.15 2.58 -0.16 0.89 2.96 0.19 -2.14 118.68 122.85 3h90 s LEU 249 Ca 0.07 -0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 3h90 s LEU 249 Cb -0.12 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3h90 s LEU 249 CO 0.01 0.18 0.36 -1.61 -1.32 0.00 0.00 176.35 173.97 3h90 s GLU 250 N 0.28 4.25 0.21 1.98 2.02 0.27 -0.17 118.70 127.54 3h90 s GLU 250 Ca -0.11 0.20 -0.01 0.00 0.02 0.00 0.00 54.97 55.07 3h90 s GLU 250 Cb -0.16 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 3h90 s GLU 250 CO 0.06 0.14 0.16 -1.64 0.02 0.00 0.00 175.26 174.00 3h90 s MET 251 N 0.75 1.24 0.28 1.61 -1.94 -0.62 -0.64 119.30 119.98 3h90 s MET 251 Ca 0.19 -1.62 -0.30 0.00 -1.71 0.00 0.00 55.69 52.25 3h90 s MET 251 Cb -0.14 0.29 -0.11 0.00 2.01 0.00 0.00 34.83 36.87 3h90 s MET 251 CO 0.06 -0.42 1.62 -2.00 -0.01 0.00 0.00 175.02 174.28 3h90 s GLU 252 N -4.12 4.12 0.31 2.03 2.12 -1.26 -4.22 118.70 117.68 3h90 s GLU 252 Ca 0.38 2.58 0.07 0.00 0.36 0.00 0.00 54.97 58.36 3h90 s GLU 252 Cb 0.06 -3.03 0.85 0.00 0.26 0.00 0.00 34.13 32.27 3h90 s GLU 252 CO 0.12 -0.65 1.65 -0.44 -0.54 0.00 0.00 175.26 175.40 3h90 h ASP 253 N 5.22 0.19 1.45 -1.70 3.45 -1.94 -2.32 116.42 120.77 3h90 h ASP 253 Ca -0.46 0.20 -0.05 0.00 0.43 0.00 0.00 57.03 57.15 3h90 h ASP 253 Cb 1.22 0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 40.20 3h90 h ASP 253 CO 0.82 -0.15 -0.57 0.77 -1.57 0.00 0.00 179.24 178.55 3h90 h SER 254 N 0.26 0.00 -1.87 6.45 4.64 -2.02 -3.47 113.55 117.53 3h90 h SER 254 Ca 0.62 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 61.28 3h90 h SER 254 Cb 1.32 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.47 3h90 h SER 254 CO -0.64 0.20 0.40 0.18 -0.87 0.00 0.00 176.83 176.10 3h90 n LEU 255 N -2.99 1.75 -4.77 5.97 4.77 -0.88 -4.94 117.00 115.92 3h90 n LEU 255 Ca 0.01 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.78 3h90 n LEU 255 Cb 0.63 -1.23 0.04 0.00 -2.33 0.00 0.00 43.42 40.52 3h90 n LEU 255 CO 0.38 -1.08 0.76 -2.84 -1.33 0.00 0.00 177.39 173.28 3h90 s PRO 256 N 0.10 2.93 0.17 3.23 0.02 -1.26 -4.79 135.00 135.41 3h90 s PRO 256 Ca 0.79 1.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.12 3h90 s PRO 256 Cb -0.88 -1.96 0.10 0.00 0.02 0.00 0.00 34.50 31.78 3h90 s PRO 256 CO 0.49 -1.17 1.63 1.25 -0.33 0.00 0.00 177.00 178.87 3h90 h LEU 257 N 0.40 -0.69 -1.56 -5.54 6.46 -1.98 -0.88 115.31 111.52 3h90 h LEU 257 Ca -0.48 0.16 0.20 0.00 -0.12 0.00 0.00 57.88 57.64 3h90 h LEU 257 Cb 1.26 0.37 -0.06 0.00 -0.73 0.00 0.00 40.66 41.49 3h90 h LEU 257 CO 0.55 -0.23 0.59 1.62 -0.62 0.00 0.00 178.44 180.34 3h90 h VAL 258 N -0.13 0.68 0.05 1.05 3.04 -1.99 0.46 116.25 119.40 3h90 h VAL 258 Ca 0.19 -0.13 -0.29 0.00 -1.01 0.00 0.00 66.70 65.47 3h90 h VAL 258 Cb 0.43 0.28 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 3h90 h VAL 258 CO -0.48 0.07 -1.55 1.56 -1.01 0.00 0.00 177.57 176.16 3h90 h GLN 259 N 0.37 0.10 -0.50 4.17 4.20 -1.62 -2.96 115.11 118.86 3h90 h GLN 259 Ca 0.45 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 3h90 h GLN 259 Cb 1.18 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 3h90 h GLN 259 CO -0.16 0.84 -0.04 0.00 -0.67 0.00 0.00 178.83 178.80 3h90 h ALA 260 N 0.76 0.68 -0.00 3.87 0.00 0.39 -2.94 119.26 122.02 3h90 h ALA 260 Ca -0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3h90 h ALA 260 Cb 1.97 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3h90 h ALA 260 CO 0.11 0.53 -0.17 1.25 0.00 0.00 0.00 179.25 180.97 3h90 h HIS 261 N 0.78 0.00 -0.10 0.00 -0.00 -0.28 -2.04 115.15 113.50 3h90 h HIS 261 Ca 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3h90 h HIS 261 Cb 0.58 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.98 3h90 h HIS 261 CO 0.04 0.17 0.00 0.52 -0.00 0.00 0.00 177.93 178.67 3h90 h MET 262 N 0.00 0.17 -0.13 5.26 2.07 -1.36 -0.45 114.93 120.50 3h90 h MET 262 Ca -0.00 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.49 3h90 h MET 262 Cb 0.30 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 3h90 h MET 262 CO 0.02 0.42 -0.30 -0.24 1.07 0.00 0.00 176.91 177.88 3h90 h VAL 263 N -0.10 1.26 -0.34 -2.22 3.04 -1.35 0.92 116.25 117.47 3h90 h VAL 263 Ca 0.03 -1.24 0.05 0.00 -1.01 0.00 0.00 66.70 64.53 3h90 h VAL 263 Cb 0.34 1.50 -0.05 0.00 -2.01 0.00 0.00 31.29 31.07 3h90 h VAL 263 CO 0.00 0.37 0.05 0.00 -1.01 0.00 0.00 177.57 176.99 3h90 h ALA 264 N 1.48 0.35 -0.31 3.17 0.00 -1.15 -0.54 119.26 122.26 3h90 h ALA 264 Ca 0.03 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3h90 h ALA 264 Cb 0.65 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3h90 h ALA 264 CO 0.05 -0.35 -0.21 -0.44 0.00 0.00 0.00 179.25 178.30 3h90 h ASP 265 N 0.17 0.72 -0.56 0.00 3.32 -0.45 0.44 116.42 120.06 3h90 h ASP 265 Ca 0.16 -0.43 0.10 0.00 0.02 0.00 0.00 57.03 56.88 3h90 h ASP 265 Cb 0.19 -0.20 -0.11 0.00 0.22 0.00 0.00 39.33 39.43 3h90 h ASP 265 CO -0.22 1.00 -0.33 1.56 -1.72 0.00 0.00 179.24 179.53 3h90 h GLN 266 N 0.44 -0.16 -0.56 3.56 4.20 -0.55 -0.70 115.11 121.33 3h90 h GLN 266 Ca 0.06 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3h90 h GLN 266 Cb 0.76 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3h90 h GLN 266 CO 0.06 -0.11 0.23 0.28 -0.67 0.00 0.00 178.83 178.61 3h90 h VAL 267 N -0.17 1.22 -0.79 -0.54 2.07 -0.87 -0.54 116.25 116.63 3h90 h VAL 267 Ca 0.23 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3h90 h VAL 267 Cb 0.55 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3h90 h VAL 267 CO -0.66 0.27 0.47 -0.08 0.02 0.00 0.00 177.57 177.59 3h90 h GLU 268 N 0.77 0.83 -0.02 1.57 4.81 -0.23 -1.30 114.58 121.02 3h90 h GLU 268 Ca 0.19 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 3h90 h GLU 268 Cb 0.20 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3h90 h GLU 268 CO -0.02 0.55 -0.64 0.37 -0.73 0.00 0.00 179.01 178.55 3h90 h GLN 269 N 0.86 0.09 -0.43 1.92 4.15 -0.75 -1.72 115.11 119.22 3h90 h GLN 269 Ca 0.35 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.63 3h90 h GLN 269 Cb 0.19 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3h90 h GLN 269 CO -0.18 0.70 -0.05 0.00 -1.93 0.00 0.00 178.83 177.37 3h90 h ALA 270 N 1.29 1.12 0.07 3.38 0.00 -0.10 -0.31 119.26 124.70 3h90 h ALA 270 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h90 h ALA 270 Cb 1.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h90 h ALA 270 CO 0.09 0.56 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 3h90 h ILE 271 N 0.67 1.18 -0.76 0.00 5.03 -1.11 -3.07 117.51 119.45 3h90 h ILE 271 Ca 0.13 -0.90 0.16 0.00 -0.12 0.00 0.00 64.86 64.13 3h90 h ILE 271 Cb 0.48 1.76 -0.05 0.00 -3.03 0.00 0.00 36.82 35.98 3h90 h ILE 271 CO 0.02 0.22 0.51 -0.07 -0.68 0.00 0.00 178.15 178.16 3h90 h LEU 272 N -0.50 0.34 0.83 1.44 4.07 -1.15 0.23 115.31 120.57 3h90 h LEU 272 Ca -0.01 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 3h90 h LEU 272 Cb 0.43 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.13 3h90 h LEU 272 CO 0.02 0.17 -0.40 -0.09 -1.08 0.00 0.00 178.44 177.06 3h90 h ARG 273 N 0.36 -1.07 0.00 1.13 2.43 -1.07 -2.38 114.38 113.79 3h90 h ARG 273 Ca 0.37 0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.54 3h90 h ARG 273 Cb 0.94 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3h90 h ARG 273 CO -0.11 -0.70 -0.37 -0.09 -1.51 0.00 0.00 179.97 177.19 3h90 h ARG 274 N -1.23 0.00 -2.83 0.20 9.65 -1.11 -3.32 114.38 115.74 3h90 h ARG 274 Ca -0.11 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.16 3h90 h ARG 274 Cb 0.86 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.04 3h90 h ARG 274 CO 0.19 0.37 -0.78 -0.06 2.80 0.00 0.00 179.97 182.48 3h90 s PHE 275 N -3.89 1.80 0.77 2.20 0.08 0.68 -5.12 117.98 114.51 3h90 s PHE 275 Ca -0.01 -2.38 -0.12 0.00 0.12 0.00 0.00 56.93 54.53 3h90 s PHE 275 Cb 0.13 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.98 3h90 s PHE 275 CO 0.69 -0.77 1.13 -1.25 -0.10 0.00 0.00 175.22 174.92 3h90 s PRO 276 N 0.22 2.09 0.00 0.24 0.04 -0.90 -3.37 135.00 133.33 3h90 s PRO 276 Ca 0.21 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.67 3h90 s PRO 276 Cb -0.17 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3h90 s PRO 276 CO -0.05 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.60 3h90 n GLY 277 N -0.43 2.85 3.75 0.56 0.00 -1.26 -4.92 105.19 105.73 3h90 n GLY 277 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3h90 n GLY 277 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h90 s SER 278 N -2.34 4.13 -0.25 1.61 0.01 -1.22 -4.53 113.70 111.12 3h90 s SER 278 Ca 0.00 1.87 0.01 0.00 1.31 0.00 0.00 55.95 59.14 3h90 s SER 278 Cb 0.00 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.79 3h90 s SER 278 CO 0.00 -2.28 -0.03 -0.62 0.41 0.00 0.00 173.24 170.72 3h90 s ASP 279 N -3.26 4.00 0.22 2.44 3.68 0.85 -4.92 116.67 119.67 3h90 s ASP 279 Ca 0.62 -1.34 0.08 0.00 2.13 0.00 0.00 52.55 54.04 3h90 s ASP 279 Cb -0.18 -1.22 -0.04 0.00 -1.45 0.00 0.00 42.92 40.03 3h90 s ASP 279 CO 0.56 -0.27 0.06 0.68 0.13 0.00 0.00 175.17 176.34 3h90 s VAL 280 N 1.34 3.91 -0.04 1.11 -7.23 -1.26 -0.33 120.40 117.91 3h90 s VAL 280 Ca -0.03 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3h90 s VAL 280 Cb -0.19 -3.04 0.03 0.00 0.56 0.00 0.00 36.38 33.75 3h90 s VAL 280 CO -0.08 -0.24 0.07 -0.51 -0.31 0.00 0.00 175.10 174.03 3h90 s ILE 281 N -1.99 -0.07 -0.16 -0.62 2.07 0.37 -4.94 121.20 115.87 3h90 s ILE 281 Ca 0.30 0.23 -0.04 0.00 -1.41 0.00 0.00 60.65 59.72 3h90 s ILE 281 Cb -0.08 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 3h90 s ILE 281 CO 0.21 0.09 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.69 3h90 s ILE 282 N 1.21 4.08 -0.25 2.00 -1.09 -1.26 -2.30 121.20 123.58 3h90 s ILE 282 Ca -0.08 -0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 3h90 s ILE 282 Cb -0.13 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 3h90 s ILE 282 CO -0.04 0.49 0.07 -2.28 -1.23 0.00 0.00 174.94 171.95 3h90 s HIS 283 N 0.31 3.09 -0.31 3.97 5.65 -0.06 -4.99 115.29 122.96 3h90 s HIS 283 Ca -0.02 -0.39 -0.11 0.00 0.25 0.00 0.00 55.06 54.78 3h90 s HIS 283 Cb -0.14 -2.23 -0.03 0.00 -1.18 0.00 0.00 32.58 29.00 3h90 s HIS 283 CO 0.02 -0.33 0.20 1.14 -0.65 0.00 0.00 174.74 175.12 3h90 s GLN 284 N 1.56 3.61 -0.07 2.88 0.00 -1.26 -0.63 119.66 125.75 3h90 s GLN 284 Ca 0.06 -0.55 -0.02 0.00 -0.00 0.00 0.00 55.36 54.85 3h90 s GLN 284 Cb -0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 33.01 29.14 3h90 s GLN 284 CO 0.04 -0.35 0.04 -0.51 0.00 0.00 0.00 175.29 174.51 3h90 s ASP 285 N 1.71 5.52 0.00 12.60 1.01 0.76 -4.94 116.67 133.32 3h90 s ASP 285 Ca 0.06 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.51 3h90 s ASP 285 Cb -0.17 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.17 3h90 s ASP 285 CO 0.09 0.35 0.00 -2.65 0.21 0.00 0.00 175.17 173.18 3h90 n PRO 286 N 1.85 0.00 -3.90 8.23 -0.02 -1.26 -1.58 135.00 138.32 3h90 n PRO 286 Ca -0.17 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 3h90 n PRO 286 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.87 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 4.53 -1.59 -3.75 0.00 3.41 -1.26 -5.05 113.62 109.91 3h90 n SER 288 Ca -0.00 -3.40 -0.10 0.00 -0.26 0.00 0.00 58.87 55.11 3h90 n SER 288 Cb 0.42 1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 65.51 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 -0.33 0.03 -1.56 -3.33 -7.23 -1.26 -5.17 120.40 101.54 3h90 s VAL 289 Ca 0.29 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 3h90 s VAL 289 Cb 0.28 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.65 3h90 s VAL 289 CO -0.10 -0.14 0.39 0.55 -0.31 0.00 0.00 175.10 175.49