#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 n SER 2 N 0.00 -7.37 -4.52 1.61 2.88 -1.26 -5.05 113.62 99.91 1um1 n SER 2 Ca 0.00 1.30 -0.27 0.00 -1.33 0.00 0.00 58.87 58.57 1um1 n SER 2 Cb 0.00 -3.99 -0.10 0.00 -0.75 0.00 0.00 64.21 59.37 1um1 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1um1 s SER 3 N -0.42 4.00 0.00 -3.46 0.01 -1.26 -4.98 113.70 107.59 1um1 s SER 3 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1um1 s SER 3 Cb 0.00 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1um1 s SER 3 CO 0.00 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1um1 n GLY 4 N 0.28 -2.43 1.85 3.44 0.00 -1.26 -5.15 105.19 101.92 1um1 n GLY 4 Ca -0.12 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1um1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1um1 n SER 5 N 0.00 -8.97 -3.82 1.61 7.64 -1.26 -5.07 113.62 103.75 1um1 n SER 5 Ca 0.00 1.30 -0.10 0.00 1.01 0.00 0.00 58.87 61.07 1um1 n SER 5 Cb 0.00 -4.81 -0.07 0.00 -1.01 0.00 0.00 64.21 58.31 1um1 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1um1 s SER 6 N -1.47 0.01 0.36 6.43 0.15 -1.26 -5.18 113.70 112.75 1um1 s SER 6 Ca 0.00 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.12 1um1 s SER 6 Cb 0.00 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 1um1 s SER 6 CO 0.00 -0.65 0.65 -0.83 1.20 0.00 0.00 173.24 173.61 1um1 s GLY 7 N -2.41 0.82 0.33 9.45 0.00 -1.26 -5.14 107.32 109.11 1um1 s GLY 7 Ca -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.70 1um1 s GLY 7 CO -0.07 -0.59 0.04 -2.52 0.00 0.00 0.00 173.10 169.96 1um1 s TYR 8 N -2.71 2.05 0.33 1.90 -0.85 -1.26 -5.00 117.35 111.81 1um1 s TYR 8 Ca 0.22 -0.88 0.10 0.00 -0.52 0.00 0.00 57.07 55.98 1um1 s TYR 8 Cb -0.03 -1.34 -0.06 0.00 0.38 0.00 0.00 41.96 40.91 1um1 s TYR 8 CO 0.15 0.11 -0.08 0.54 -1.52 0.00 0.00 175.55 174.75 1um1 s VAL 9 N -3.18 2.43 0.01 -3.49 0.11 -1.26 0.32 120.40 115.34 1um1 s VAL 9 Ca 0.35 -2.16 -0.11 0.00 -2.93 0.00 0.00 61.98 57.13 1um1 s VAL 9 Cb 0.08 -2.64 0.01 0.00 -1.53 0.00 0.00 36.38 32.30 1um1 s VAL 9 CO 0.15 -0.24 0.22 0.72 -3.33 0.00 0.00 175.10 172.63 1um1 s PHE 10 N -2.56 -0.04 0.36 1.54 -0.12 -0.09 -4.86 117.98 112.20 1um1 s PHE 10 Ca 0.33 -0.02 -0.05 0.00 -0.05 0.00 0.00 56.93 57.14 1um1 s PHE 10 Cb 0.00 0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 1um1 s PHE 10 CO 0.17 -0.36 0.64 0.99 -0.05 0.00 0.00 175.22 176.61 1um1 s THR 11 N -1.67 4.97 -0.11 -4.49 2.01 -1.26 -1.91 115.64 113.18 1um1 s THR 11 Ca -0.12 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1um1 s THR 11 Cb -0.05 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.73 1um1 s THR 11 CO 0.01 -0.51 0.10 -0.69 -0.69 0.00 0.00 174.62 172.84 1um1 s VAL 12 N -2.31 -0.14 -0.42 3.82 1.01 0.89 -4.94 120.40 118.31 1um1 s VAL 12 Ca 0.45 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1um1 s VAL 12 Cb -0.10 -0.38 0.09 0.00 0.00 0.00 0.00 36.38 35.99 1um1 s VAL 12 CO 0.34 -0.04 0.26 -1.61 0.00 0.00 0.00 175.10 174.05 1um1 s GLU 13 N 2.18 2.45 0.22 2.72 2.02 -1.26 0.21 118.70 127.25 1um1 s GLU 13 Ca 0.04 -1.59 0.07 0.00 0.02 0.00 0.00 54.97 53.51 1um1 s GLU 13 Cb -0.14 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 1um1 s GLU 13 CO -0.06 -1.02 0.13 -0.51 0.02 0.00 0.00 175.26 173.82 1um1 s LEU 14 N 1.35 3.67 -0.35 1.80 2.01 0.25 -4.90 118.68 122.50 1um1 s LEU 14 Ca 0.04 -0.29 -0.06 0.00 0.01 0.00 0.00 54.13 53.84 1um1 s LEU 14 Cb -0.24 -2.23 0.05 0.00 0.01 0.00 0.00 46.19 43.78 1um1 s LEU 14 CO 0.00 0.01 0.12 -0.70 1.01 0.00 0.00 176.35 176.79 1um1 s GLU 15 N -3.50 2.53 -0.49 1.70 2.12 -1.26 0.47 118.70 120.26 1um1 s GLU 15 Ca 0.31 -1.29 -0.44 0.00 0.36 0.00 0.00 54.97 53.91 1um1 s GLU 15 Cb -0.08 -3.46 -0.19 0.00 0.26 0.00 0.00 34.13 30.65 1um1 s GLU 15 CO 0.23 -0.73 1.98 -2.13 -0.54 0.00 0.00 175.26 174.06 1um1 n ARG 16 N 4.77 0.00 -0.25 4.30 0.63 -1.07 -4.81 116.66 120.23 1um1 n ARG 16 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1um1 n ARG 16 Cb 0.44 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.88 1um1 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um1 n GLY 17 N 6.56 -0.22 0.01 5.14 0.00 0.43 -4.88 105.19 112.23 1um1 n GLY 17 Ca 0.49 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.82 1um1 n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um1 n PRO 18 N -0.88 0.01 -0.00 1.61 -0.04 -1.26 -2.70 135.00 131.74 1um1 n PRO 18 Ca 0.00 0.14 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 1um1 n PRO 18 Cb 0.00 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1um1 n PRO 18 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1um1 n SER 19 N -1.54 1.41 0.00 3.54 7.64 -1.26 -5.11 113.62 118.31 1um1 n SER 19 Ca 0.05 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1um1 n SER 19 Cb 0.26 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 20 N 1.47 0.48 0.16 0.23 0.00 -1.10 -4.66 105.19 101.77 1um1 n GLY 20 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1um1 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 21 N 0.00 0.12 -3.83 0.99 4.32 -1.26 0.16 117.00 117.50 1um1 n LEU 21 Ca 0.00 -0.45 -0.31 0.00 -0.02 0.00 0.00 56.01 55.23 1um1 n LEU 21 Cb 0.00 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.80 1um1 n LEU 21 CO 0.00 0.11 -0.18 0.61 -1.22 0.00 0.00 177.39 176.71 1um1 n GLY 22 N -0.05 -0.91 2.61 -0.72 0.00 -1.26 -3.36 105.19 101.51 1um1 n GLY 22 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 1um1 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1um1 s MET 23 N -5.86 0.36 -1.32 1.61 1.00 -1.26 -2.69 119.30 111.14 1um1 s MET 23 Ca 0.21 -0.66 -0.17 0.00 0.00 0.00 0.00 55.69 55.08 1um1 s MET 23 Cb -0.12 -1.49 0.02 0.00 0.00 0.00 0.00 34.83 33.24 1um1 s MET 23 CO 0.80 -0.97 2.02 0.41 0.00 0.00 0.00 175.02 177.28 1um1 n GLY 24 N 5.12 3.44 3.71 -0.03 0.00 -0.36 -4.93 105.19 112.15 1um1 n GLY 24 Ca -0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1um1 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 25 N 3.27 4.39 0.13 0.99 1.43 -1.26 0.15 118.68 127.78 1um1 s LEU 25 Ca 0.52 1.78 0.07 0.00 -1.03 0.00 0.00 54.13 55.47 1um1 s LEU 25 Cb 0.10 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1um1 s LEU 25 CO -0.00 -0.29 -0.17 -0.51 0.23 0.00 0.00 176.35 175.60 1um1 s ILE 26 N 0.87 1.60 -0.06 -0.59 2.07 0.63 -4.88 121.20 120.85 1um1 s ILE 26 Ca 0.53 -1.71 -0.30 0.00 -1.41 0.00 0.00 60.65 57.77 1um1 s ILE 26 Cb -0.24 -1.61 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 1um1 s ILE 26 CO 0.29 -0.26 1.26 -0.62 -1.91 0.00 0.00 174.94 173.70 1um1 s ASP 27 N -2.32 6.98 0.58 4.50 2.15 -1.26 -0.49 116.67 126.82 1um1 s ASP 27 Ca 0.10 1.88 0.39 0.00 0.43 0.00 0.00 52.55 55.34 1um1 s ASP 27 Cb -0.07 -2.56 1.37 0.00 -0.30 0.00 0.00 42.92 41.36 1um1 s ASP 27 CO 0.05 -0.65 1.47 1.23 -0.17 0.00 0.00 175.17 177.10 1um1 h GLY 28 N 8.48 0.00 0.75 2.66 0.00 0.56 1.17 103.07 116.67 1um1 h GLY 28 Ca -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1um1 h GLY 28 CO 0.90 0.00 -0.01 -0.33 0.00 0.00 0.00 176.54 177.10 1um1 h MET 29 N 0.00 0.21 -0.98 4.80 2.86 -0.95 -2.32 114.93 118.55 1um1 h MET 29 Ca 0.71 -0.07 0.17 0.00 -2.06 0.00 0.00 59.70 58.45 1um1 h MET 29 Cb 3.27 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 34.81 1um1 h MET 29 CO -0.01 0.48 0.59 0.45 1.06 0.00 0.00 176.91 179.48 1um1 h HIS 30 N -0.09 1.04 -3.70 -0.22 3.86 0.11 -3.39 115.15 112.76 1um1 h HIS 30 Ca 0.03 0.03 -0.40 0.00 -1.16 0.00 0.00 60.37 58.87 1um1 h HIS 30 Cb 0.39 -0.31 0.16 0.00 1.06 0.00 0.00 27.41 28.72 1um1 h HIS 30 CO 0.04 0.26 0.39 0.25 0.86 0.00 0.00 177.93 179.73 1um1 n THR 31 N -4.76 0.00 0.33 2.45 -2.24 -1.11 -4.94 114.28 104.01 1um1 n THR 31 Ca 0.22 -0.90 0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1um1 n THR 31 Cb 0.52 -1.54 0.53 0.00 -2.10 0.00 0.00 70.33 67.73 1um1 n THR 31 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1um1 h HIS 32 N -1.73 0.00 -0.53 4.78 3.86 -1.68 -2.96 115.15 116.89 1um1 h HIS 32 Ca -0.40 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 58.96 1um1 h HIS 32 Cb 1.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 1um1 h HIS 32 CO 0.00 0.00 0.66 1.25 0.86 0.00 0.00 177.93 180.70 1um1 h LEU 33 N 0.00 0.00 1.76 2.43 5.85 -1.75 -3.43 115.31 120.16 1um1 h LEU 33 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1um1 h LEU 33 Cb 0.58 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1um1 h LEU 33 CO 0.00 0.00 -0.20 0.61 -0.34 0.00 0.00 178.44 178.51 1um1 n GLY 34 N -1.53 -0.49 3.23 3.75 0.00 -0.89 -4.89 105.19 104.38 1um1 n GLY 34 Ca 0.11 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1um1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1um1 s ALA 35 N -2.33 1.50 0.61 4.61 0.00 -1.19 -4.85 121.76 120.11 1um1 s ALA 35 Ca 0.10 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 1um1 s ALA 35 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1um1 s ALA 35 CO 0.13 0.19 1.05 -1.25 0.00 0.00 0.00 175.76 175.88 1um1 s PRO 36 N -2.22 3.27 0.00 0.00 0.04 -1.26 -0.37 135.00 134.46 1um1 s PRO 36 Ca 0.05 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1um1 s PRO 36 Cb -0.08 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1um1 s PRO 36 CO 0.03 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1um1 n GLY 37 N -1.32 3.02 3.87 0.56 0.00 -1.26 -4.71 105.19 105.35 1um1 n GLY 37 Ca 0.08 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 1um1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 38 N 0.00 4.40 -0.06 0.99 2.01 -1.26 0.89 118.68 125.64 1um1 s LEU 38 Ca 0.00 0.61 -0.05 0.00 0.01 0.00 0.00 54.13 54.70 1um1 s LEU 38 Cb 0.00 -2.44 0.02 0.00 0.01 0.00 0.00 46.19 43.77 1um1 s LEU 38 CO 0.00 0.32 0.17 -0.31 1.01 0.00 0.00 176.35 177.54 1um1 s TYR 39 N -1.16 -0.19 0.26 0.29 1.51 0.36 -1.13 117.35 117.29 1um1 s TYR 39 Ca 0.22 0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 56.44 1um1 s TYR 39 Cb -0.13 0.05 -0.12 0.00 -0.11 0.00 0.00 41.96 41.64 1um1 s TYR 39 CO 0.11 -0.10 1.60 -0.89 -1.11 0.00 0.00 175.55 175.16 1um1 n ILE 40 N 3.15 0.72 -0.02 2.71 5.41 0.71 -0.27 119.36 131.77 1um1 n ILE 40 Ca -0.14 -0.18 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1um1 n ILE 40 Cb 0.58 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.62 1um1 n ILE 40 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1um1 n GLN 41 N 2.61 0.67 -4.07 0.38 7.27 0.40 0.14 117.38 124.79 1um1 n GLN 41 Ca 0.11 0.02 -0.10 0.00 0.07 0.00 0.00 57.00 57.10 1um1 n GLN 41 Cb 0.35 -1.09 -0.08 0.00 2.41 0.00 0.00 30.24 31.83 1um1 n GLN 41 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1um1 s THR 42 N -2.09 0.05 -0.09 1.69 -4.23 -1.08 -4.80 115.64 105.09 1um1 s THR 42 Ca -0.05 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1um1 s THR 42 Cb 0.01 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.79 1um1 s THR 42 CO 0.11 -0.21 0.19 -0.76 -0.54 0.00 0.00 174.62 173.41 1um1 s LEU 43 N -3.04 0.30 0.61 4.79 1.43 -1.26 -1.22 118.68 120.29 1um1 s LEU 43 Ca 0.25 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 1um1 s LEU 43 Cb 0.05 0.47 -0.03 0.00 0.03 0.00 0.00 46.19 46.70 1um1 s LEU 43 CO 0.05 -0.19 1.05 -0.76 0.23 0.00 0.00 176.35 176.73 1um1 s LEU 44 N 1.66 3.41 -0.08 1.79 1.02 -1.09 -5.00 118.68 120.39 1um1 s LEU 44 Ca -0.05 1.73 -0.26 0.00 0.02 0.00 0.00 54.13 55.58 1um1 s LEU 44 Cb -0.12 -4.52 -0.22 0.00 0.02 0.00 0.00 46.19 41.36 1um1 s LEU 44 CO -0.07 -1.18 0.96 1.55 0.02 0.00 0.00 176.35 177.63 1um1 h PRO 45 N 0.17 -0.03 -1.71 1.29 0.13 -2.01 -3.29 132.00 126.55 1um1 h PRO 45 Ca -0.46 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 1um1 h PRO 45 Cb 1.21 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1um1 h PRO 45 CO 0.58 0.66 0.37 0.41 -0.23 0.00 0.00 178.00 179.79 1um1 n GLY 46 N 0.93 4.13 3.52 1.56 0.00 -1.26 -4.71 105.19 109.36 1um1 n GLY 46 Ca -0.09 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1um1 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1um1 s SER 47 N 0.33 3.79 0.01 1.61 1.04 -1.24 -4.94 113.70 114.30 1um1 s SER 47 Ca 0.42 -1.03 -0.20 0.00 0.48 0.00 0.00 55.95 55.62 1um1 s SER 47 Cb 0.29 -0.39 -0.22 0.00 0.10 0.00 0.00 66.02 65.80 1um1 s SER 47 CO -0.08 -0.06 1.14 1.55 0.98 0.00 0.00 173.24 176.77 1um1 h PRO 48 N 2.12 0.42 -0.89 4.02 0.13 -1.86 -1.93 132.00 134.01 1um1 h PRO 48 Ca -0.41 -0.41 0.24 0.00 -0.87 0.00 0.00 66.00 64.55 1um1 h PRO 48 Cb 1.26 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 1um1 h PRO 48 CO 0.64 1.06 0.62 0.00 -0.23 0.00 0.00 178.00 180.09 1um1 h ALA 49 N 0.37 2.60 0.03 -0.56 0.00 -1.82 0.76 119.26 120.64 1um1 h ALA 49 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1um1 h ALA 49 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1um1 h ALA 49 CO 0.11 -0.87 -0.21 0.00 0.00 0.00 0.00 179.25 178.27 1um1 h ALA 50 N 1.58 -0.02 -0.94 0.00 0.00 -1.76 -3.24 119.26 114.89 1um1 h ALA 50 Ca 0.44 -0.56 0.26 0.00 0.00 0.00 0.00 54.91 55.06 1um1 h ALA 50 Cb 1.51 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.20 1um1 h ALA 50 CO -0.08 0.10 0.42 0.00 0.00 0.00 0.00 179.25 179.69 1um1 h ALA 51 N 0.01 1.58 -0.18 0.00 0.00 -0.11 0.55 119.26 121.11 1um1 h ALA 51 Ca -0.04 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1um1 h ALA 51 Cb 1.16 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1um1 h ALA 51 CO 0.03 -0.45 -0.02 0.22 0.00 0.00 0.00 179.25 179.03 1um1 h ASP 52 N 0.33 -0.12 0.00 0.00 1.82 -1.08 -3.46 116.42 113.91 1um1 h ASP 52 Ca 0.62 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1um1 h ASP 52 Cb 1.29 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.39 1um1 h ASP 52 CO -0.59 -0.03 0.00 0.61 -1.61 0.00 0.00 179.24 177.61 1um1 n GLY 53 N -1.18 2.65 0.40 -0.78 0.00 0.19 -4.82 105.19 101.65 1um1 n GLY 53 Ca -0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 1um1 n GLY 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1um1 h ARG 54 N 0.00 -0.10 -6.01 1.61 1.12 -1.85 -3.38 114.38 105.77 1um1 h ARG 54 Ca 0.00 0.01 -0.76 0.00 -1.11 0.00 0.00 59.98 58.11 1um1 h ARG 54 Cb 0.00 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 1um1 h ARG 54 CO 0.00 -0.07 1.24 1.28 -3.11 0.00 0.00 179.97 179.31 1um1 n LEU 55 N -5.39 1.16 -4.64 3.80 4.32 -1.26 -4.90 117.00 110.10 1um1 n LEU 55 Ca 0.04 0.71 -0.24 0.00 -0.02 0.00 0.00 56.01 56.50 1um1 n LEU 55 Cb 0.34 -0.98 -0.08 0.00 -1.62 0.00 0.00 43.42 41.08 1um1 n LEU 55 CO -0.09 -0.75 -0.29 -0.44 -1.22 0.00 0.00 177.39 174.60 1um1 s SER 56 N 5.75 4.22 0.04 -1.43 0.01 -1.26 -4.89 113.70 116.14 1um1 s SER 56 Ca 1.15 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 57.14 1um1 s SER 56 Cb -1.35 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1um1 s SER 56 CO 0.65 -0.24 1.08 -0.76 0.41 0.00 0.00 173.24 174.37 1um1 s LEU 57 N -3.73 4.38 0.00 2.44 1.43 -1.26 -2.99 118.68 118.95 1um1 s LEU 57 Ca 0.35 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1um1 s LEU 57 Cb -0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1um1 s LEU 57 CO 0.20 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1um1 n GLY 58 N 2.97 2.89 3.21 -3.19 0.00 0.12 -4.72 105.19 106.48 1um1 n GLY 58 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1um1 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um1 n ASP 59 N 0.00 -4.06 -4.04 1.61 8.00 -1.16 -4.42 116.55 112.48 1um1 n ASP 59 Ca 0.00 0.29 -0.29 0.00 0.71 0.00 0.00 54.79 55.50 1um1 n ASP 59 Cb 0.00 -0.97 -0.17 0.00 -0.02 0.00 0.00 41.12 39.96 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1um1 s ARG 60 N -2.65 2.25 0.55 -1.24 3.52 -1.26 -0.21 118.95 119.91 1um1 s ARG 60 Ca 0.49 -0.56 -0.17 0.00 -0.13 0.00 0.00 55.73 55.36 1um1 s ARG 60 Cb -0.22 -1.98 -0.06 0.00 -1.56 0.00 0.00 34.95 31.14 1um1 s ARG 60 CO 0.74 -0.14 1.04 0.42 -0.81 0.00 0.00 175.30 176.56 1um1 s ILE 61 N 1.20 3.88 0.00 4.11 -1.09 -0.29 -1.73 121.20 127.29 1um1 s ILE 61 Ca -0.02 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1um1 s ILE 61 Cb -0.14 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1um1 s ILE 61 CO -0.05 -0.44 0.00 0.18 -1.23 0.00 0.00 174.94 173.40 1um1 n LEU 62 N -1.63 0.95 -4.27 2.97 4.77 0.51 -4.56 117.00 115.74 1um1 n LEU 62 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1um1 n LEU 62 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1um1 n LEU 62 CO 0.45 0.06 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.57 1um1 s GLU 63 N -1.77 1.12 -0.25 3.23 2.02 -1.19 -0.63 118.70 121.22 1um1 s GLU 63 Ca 0.00 -1.51 -0.03 0.00 0.02 0.00 0.00 54.97 53.45 1um1 s GLU 63 Cb 0.00 -0.58 0.10 0.00 0.10 0.00 0.00 34.13 33.75 1um1 s GLU 63 CO 0.00 0.01 0.19 0.08 0.02 0.00 0.00 175.26 175.57 1um1 s VAL 64 N -3.38 -0.22 -0.26 2.63 1.01 -0.82 -1.43 120.40 117.92 1um1 s VAL 64 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1um1 s VAL 64 Cb 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1um1 s VAL 64 CO 0.03 -0.48 0.00 0.59 0.00 0.00 0.00 175.10 175.24 1um1 n ASN 65 N 5.29 -4.42 0.00 3.32 3.02 0.53 -1.97 115.26 121.02 1um1 n ASN 65 Ca -0.05 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1um1 n ASN 65 Cb 0.46 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 1um1 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1um1 n GLY 66 N -1.19 1.30 3.36 7.41 0.00 -1.26 -4.91 105.19 109.90 1um1 n GLY 66 Ca -0.02 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1um1 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 67 N -2.03 4.84 -0.00 1.61 0.15 -0.83 -5.05 113.70 112.38 1um1 s SER 67 Ca 0.00 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 1um1 s SER 67 Cb 0.00 -1.84 -0.09 0.00 -1.71 0.00 0.00 66.02 62.38 1um1 s SER 67 CO 0.00 -0.08 2.00 -1.54 1.20 0.00 0.00 173.24 174.82 1um1 n SER 68 N 4.86 4.01 -3.41 5.45 3.41 -1.26 -1.95 113.62 124.72 1um1 n SER 68 Ca -0.16 0.83 -0.36 0.00 -0.26 0.00 0.00 58.87 58.92 1um1 n SER 68 Cb 0.50 -1.51 -0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1um1 n LEU 69 N 7.91 6.39 -0.10 1.04 -0.00 0.20 -4.63 117.00 127.81 1um1 n LEU 69 Ca 0.21 -5.49 -0.13 0.00 -0.00 0.00 0.00 56.01 50.61 1um1 n LEU 69 Cb 0.40 -0.96 -0.04 0.00 -0.00 0.00 0.00 43.42 42.81 1um1 n LEU 69 CO 0.68 2.15 -0.77 0.18 -0.00 0.00 0.00 177.39 179.64 1um1 n LEU 70 N -0.11 1.92 -1.06 -1.96 4.77 -1.26 -4.61 117.00 114.69 1um1 n LEU 70 Ca 0.41 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.80 1um1 n LEU 70 Cb 0.30 -0.78 0.24 0.00 -2.33 0.00 0.00 43.42 40.85 1um1 n LEU 70 CO 0.46 -0.12 0.73 0.61 -1.33 0.00 0.00 177.39 177.74 1um1 n GLY 71 N 1.44 4.35 3.69 -0.72 0.00 -1.26 -4.96 105.19 107.74 1um1 n GLY 71 Ca -0.21 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1um1 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 72 N -3.00 4.22 0.78 0.99 1.43 -1.26 -5.04 118.68 116.79 1um1 s LEU 72 Ca 0.44 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.31 1um1 s LEU 72 Cb 0.37 -2.87 0.07 0.00 0.03 0.00 0.00 46.19 43.79 1um1 s LEU 72 CO 0.06 -0.16 1.17 -0.83 0.23 0.00 0.00 176.35 176.82 1um1 s GLY 73 N 0.95 2.10 0.21 -3.19 0.00 -1.26 -4.62 107.32 101.50 1um1 s GLY 73 Ca 0.30 0.73 -0.10 0.00 0.00 0.00 0.00 44.72 45.65 1um1 s GLY 73 CO 0.12 1.13 1.75 -1.82 0.00 0.00 0.00 173.10 174.28 1um1 h TYR 74 N -0.78 0.41 0.00 1.90 5.03 -1.98 0.74 116.97 122.29 1um1 h TYR 74 Ca -0.46 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 60.84 1um1 h TYR 74 Cb 1.28 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.46 1um1 h TYR 74 CO 0.49 0.11 -0.18 -0.07 -1.32 0.00 0.00 178.16 177.20 1um1 h LEU 75 N 0.42 0.00 0.08 2.82 3.38 -1.98 0.40 115.31 120.44 1um1 h LEU 75 Ca 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1um1 h LEU 75 Cb 0.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.13 1um1 h LEU 75 CO -0.29 0.18 -0.64 0.03 0.09 0.00 0.00 178.44 177.80 1um1 h ARG 76 N 0.00 0.30 -0.13 1.13 2.47 -0.82 -1.49 114.38 115.84 1um1 h ARG 76 Ca -0.00 -0.42 -0.03 0.00 -1.26 0.00 0.00 59.98 58.27 1um1 h ARG 76 Cb 0.40 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1um1 h ARG 76 CO 0.02 1.15 -0.02 0.00 0.56 0.00 0.00 179.97 181.69 1um1 h ALA 77 N 0.17 0.17 -0.55 0.04 0.00 0.64 -0.95 119.26 118.77 1um1 h ALA 77 Ca -0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1um1 h ALA 77 Cb 1.44 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1um1 h ALA 77 CO 0.12 -0.10 0.36 -0.24 0.00 0.00 0.00 179.25 179.39 1um1 h VAL 78 N -0.06 1.12 -0.33 0.00 3.04 -0.32 -1.93 116.25 117.78 1um1 h VAL 78 Ca 0.03 -0.25 0.04 0.00 -1.01 0.00 0.00 66.70 65.52 1um1 h VAL 78 Cb 0.42 0.33 -0.04 0.00 -2.01 0.00 0.00 31.29 29.99 1um1 h VAL 78 CO 0.01 0.13 0.08 -0.78 -1.01 0.00 0.00 177.57 176.00 1um1 h ASP 79 N 0.72 0.05 -0.27 3.17 1.82 -1.14 1.12 116.42 121.89 1um1 h ASP 79 Ca 0.21 0.05 0.06 0.00 -0.39 0.00 0.00 57.03 56.96 1um1 h ASP 79 Cb -0.06 0.05 -0.08 0.00 0.68 0.00 0.00 39.33 39.93 1um1 h ASP 79 CO -0.06 0.06 -0.31 -0.07 -1.61 0.00 0.00 179.24 177.26 1um1 h LEU 80 N 0.21 -0.99 -0.59 2.28 3.38 -0.54 0.94 115.31 120.00 1um1 h LEU 80 Ca 0.15 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 1um1 h LEU 80 Cb 0.15 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1um1 h LEU 80 CO -0.19 -0.33 0.18 0.40 0.09 0.00 0.00 178.44 178.60 1um1 h ILE 81 N -0.31 1.24 0.35 1.22 5.03 -0.74 -0.33 117.51 123.98 1um1 h ILE 81 Ca 0.14 -0.84 -0.00 0.00 -0.12 0.00 0.00 64.86 64.03 1um1 h ILE 81 Cb 0.52 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 34.95 1um1 h ILE 81 CO -0.44 0.32 -0.42 0.03 -0.68 0.00 0.00 178.15 176.96 1um1 h ARG 82 N 0.85 -0.78 -1.23 2.37 2.47 0.30 -1.50 114.38 116.85 1um1 h ARG 82 Ca 0.19 0.05 -0.35 0.00 -1.26 0.00 0.00 59.98 58.61 1um1 h ARG 82 Cb 0.30 0.18 -0.17 0.00 -1.65 0.00 0.00 29.97 28.63 1um1 h ARG 82 CO -0.00 -0.52 0.45 0.72 0.56 0.00 0.00 179.97 181.17 1um1 n HIS 83 N -5.50 1.82 0.00 3.04 8.25 0.31 -4.88 115.22 118.27 1um1 n HIS 83 Ca -0.10 -1.76 0.00 0.00 -0.26 0.00 0.00 57.72 55.60 1um1 n HIS 83 Cb 0.40 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.65 1um1 n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1um1 n GLY 84 N -0.15 -2.86 3.65 -1.41 0.00 -0.14 -4.93 105.19 99.35 1um1 n GLY 84 Ca 0.35 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1um1 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1um1 s GLY 85 N 0.00 0.60 0.40 -0.02 0.00 -1.26 -5.01 107.32 102.02 1um1 s GLY 85 Ca 0.00 -0.89 0.22 0.00 0.00 0.00 0.00 44.72 44.05 1um1 s GLY 85 CO 0.00 -0.56 1.67 0.50 0.00 0.00 0.00 173.10 174.71 1um1 h LYS 86 N 2.14 0.21 -4.85 2.90 1.79 -1.94 -3.30 116.57 113.53 1um1 h LYS 86 Ca -0.26 -0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.52 1um1 h LYS 86 Cb 1.25 -0.05 -0.29 0.00 -1.58 0.00 0.00 32.23 31.56 1um1 h LYS 86 CO 0.35 0.14 -0.67 0.15 -1.08 0.00 0.00 179.45 178.34 1um1 s LYS 87 N -5.46 2.98 -0.20 3.15 1.02 -1.26 -2.58 119.74 117.39 1um1 s LYS 87 Ca -0.09 -0.91 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 1um1 s LYS 87 Cb 0.29 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1um1 s LYS 87 CO 0.80 -0.42 -0.11 -1.64 -0.92 0.00 0.00 175.35 173.06 1um1 s MET 88 N 1.42 3.21 -0.04 1.68 -1.94 0.17 -4.96 119.30 118.85 1um1 s MET 88 Ca 0.01 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1um1 s MET 88 Cb -0.17 -2.82 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1um1 s MET 88 CO -0.00 -0.20 -0.04 0.50 -0.01 0.00 0.00 175.02 175.26 1um1 s ARG 89 N 1.39 2.75 -0.01 2.03 3.52 -1.26 0.84 118.95 128.22 1um1 s ARG 89 Ca 0.05 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1um1 s ARG 89 Cb -0.14 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1um1 s ARG 89 CO -0.07 0.65 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.99 1um1 s PHE 90 N -0.93 0.16 -0.74 5.12 0.08 0.13 0.20 117.98 122.00 1um1 s PHE 90 Ca 0.15 -0.01 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 1um1 s PHE 90 Cb -0.11 -0.14 0.19 0.00 -0.57 0.00 0.00 43.02 42.39 1um1 s PHE 90 CO 0.05 -0.02 0.65 -1.17 -0.10 0.00 0.00 175.22 174.62 1um1 s LEU 91 N 0.18 6.29 -0.15 -0.37 2.96 -0.51 -0.08 118.68 127.00 1um1 s LEU 91 Ca -0.01 -2.62 -0.08 0.00 -0.22 0.00 0.00 54.13 51.19 1um1 s LEU 91 Cb -0.03 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1um1 s LEU 91 CO -0.01 -0.55 0.12 0.54 -1.32 0.00 0.00 176.35 175.14 1um1 s VAL 92 N 0.28 5.37 0.15 1.68 0.11 -0.81 0.19 120.40 127.38 1um1 s VAL 92 Ca 0.16 0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.25 1um1 s VAL 92 Cb -0.15 -3.38 -0.07 0.00 -1.53 0.00 0.00 36.38 31.25 1um1 s VAL 92 CO -0.06 0.54 0.53 0.00 -3.33 0.00 0.00 175.10 172.78 1um1 s ALA 93 N -0.41 3.60 -0.84 1.54 0.00 -0.71 -0.92 121.76 124.02 1um1 s ALA 93 Ca 0.12 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.63 1um1 s ALA 93 Cb -0.12 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1um1 s ALA 93 CO 0.01 0.48 1.40 0.21 0.00 0.00 0.00 175.76 177.86 1um1 s LYS 94 N -2.08 3.29 0.54 0.00 2.36 0.15 -4.12 119.74 119.87 1um1 s LYS 94 Ca 0.39 -0.52 -0.01 0.00 -2.55 0.00 0.00 55.97 53.27 1um1 s LYS 94 Cb -0.14 -4.66 0.11 0.00 -1.05 0.00 0.00 37.83 32.09 1um1 s LYS 94 CO 0.19 -2.25 0.74 0.43 1.55 0.00 0.00 175.35 176.02 1um1 n SER 95 N 9.53 0.86 -4.99 1.43 7.64 -1.26 -4.34 113.62 122.49 1um1 n SER 95 Ca 0.16 -1.76 -0.17 0.00 1.01 0.00 0.00 58.87 58.11 1um1 n SER 95 Cb 0.50 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1um1 n SER 95 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1um1 s ASP 96 N -3.96 5.58 0.14 6.43 1.11 -1.26 -5.02 116.67 119.70 1um1 s ASP 96 Ca 0.48 -0.46 -0.18 0.00 0.18 0.00 0.00 52.55 52.57 1um1 s ASP 96 Cb -0.03 -0.65 0.03 0.00 1.07 0.00 0.00 42.92 43.34 1um1 s ASP 96 CO 0.32 -0.75 1.72 -0.37 1.18 0.00 0.00 175.17 177.28 1um1 h VAL 97 N 0.69 0.83 -0.96 -1.27 -1.51 -1.99 -2.39 116.25 109.66 1um1 h VAL 97 Ca -0.40 -0.05 0.13 0.00 -1.23 0.00 0.00 66.70 65.15 1um1 h VAL 97 Cb 1.28 0.69 -0.14 0.00 -2.13 0.00 0.00 31.29 30.98 1um1 h VAL 97 CO 0.47 0.02 -0.44 -0.33 -1.23 0.00 0.00 177.57 176.06 1um1 h GLU 98 N 0.13 -0.02 -1.01 5.19 5.08 -1.98 1.64 114.58 123.61 1um1 h GLU 98 Ca 0.14 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.73 1um1 h GLU 98 Cb 0.16 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 1um1 h GLU 98 CO -0.20 -0.01 0.62 1.15 -1.00 0.00 0.00 179.01 179.57 1um1 h THR 99 N -0.02 0.58 0.02 1.13 2.02 -1.82 0.40 112.91 115.23 1um1 h THR 99 Ca 0.28 -0.19 -0.25 0.00 0.77 0.00 0.00 66.41 67.02 1um1 h THR 99 Cb 0.55 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1um1 h THR 99 CO -0.95 0.10 -1.04 0.00 0.37 0.00 0.00 175.52 174.01 1um1 h ALA 100 N 1.67 0.22 -0.86 6.16 0.00 0.20 -3.20 119.26 123.45 1um1 h ALA 100 Ca 0.61 -0.72 0.20 0.00 0.00 0.00 0.00 54.91 55.00 1um1 h ALA 100 Cb 1.23 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1um1 h ALA 100 CO -0.39 0.76 0.34 0.87 0.00 0.00 0.00 179.25 180.84 1um1 h LYS 101 N 0.29 0.36 -0.37 0.00 1.57 0.55 1.27 116.57 120.24 1um1 h LYS 101 Ca -0.11 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1um1 h LYS 101 Cb 1.69 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 1um1 h LYS 101 CO 0.19 0.24 0.06 0.87 -0.57 0.00 0.00 179.45 180.24 1um1 h LYS 102 N 0.37 0.54 0.00 3.15 1.57 -1.33 -0.25 116.57 120.62 1um1 h LYS 102 Ca 0.52 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 1um1 h LYS 102 Cb 0.96 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1um1 h LYS 102 CO -0.52 0.52 -0.13 0.82 -0.57 0.00 0.00 179.45 179.57 1um1 h ILE 103 N 0.53 0.26 -3.65 1.86 1.08 0.13 -2.70 117.51 115.03 1um1 h ILE 103 Ca 0.12 -1.09 -0.49 0.00 -0.39 0.00 0.00 64.86 63.01 1um1 h ILE 103 Cb 0.24 1.88 0.04 0.00 -3.07 0.00 0.00 36.82 35.92 1um1 h ILE 103 CO 0.00 0.13 0.15 -1.00 -0.69 0.00 0.00 178.15 176.74 1um1 s HIS 104 N -3.40 3.52 -0.45 1.37 3.76 0.16 -4.96 115.29 115.30 1um1 s HIS 104 Ca 0.03 0.83 -0.02 0.00 -0.15 0.00 0.00 55.06 55.75 1um1 s HIS 104 Cb 0.08 -2.41 0.12 0.00 1.11 0.00 0.00 32.58 31.48 1um1 s HIS 104 CO 0.64 -0.40 0.24 -1.54 -0.85 0.00 0.00 174.74 172.83 1um1 s SER 105 N -4.15 5.20 -0.05 1.40 1.04 -1.26 -4.83 113.70 111.06 1um1 s SER 105 Ca 0.49 -2.21 -0.00 0.00 0.48 0.00 0.00 55.95 54.71 1um1 s SER 105 Cb -0.10 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1um1 s SER 105 CO 0.46 -0.50 0.01 0.61 0.98 0.00 0.00 173.24 174.80 1um1 n GLY 106 N 4.34 -3.09 3.75 7.32 0.00 -1.26 -5.00 105.19 111.25 1um1 n GLY 106 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1um1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um1 s PRO 107 N -0.35 4.62 -0.24 1.61 0.04 -1.26 -4.94 135.00 134.47 1um1 s PRO 107 Ca -0.01 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1um1 s PRO 107 Cb 0.00 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1um1 s PRO 107 CO 0.12 0.14 2.12 0.45 0.04 0.00 0.00 177.00 179.87 1um1 s SER 108 N -0.47 5.55 -0.56 6.66 0.15 -1.26 -4.90 113.70 118.87 1um1 s SER 108 Ca 0.47 1.75 -0.28 0.00 0.70 0.00 0.00 55.95 58.59 1um1 s SER 108 Cb -0.31 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.51 1um1 s SER 108 CO 0.38 -1.91 1.29 -0.94 1.20 0.00 0.00 173.24 173.26 1um1 s SER 109 N 7.80 6.33 0.00 5.45 1.04 -1.26 -5.30 113.70 127.76 1um1 s SER 109 Ca 0.96 0.21 0.09 0.00 0.48 0.00 0.00 55.95 57.69 1um1 s SER 109 Cb -0.30 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.34 1um1 s SER 109 CO 0.35 -1.56 0.79 0.61 0.98 0.00 0.00 173.24 174.41