#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 -8.35 -0.09 1.61 7.64 -1.26 -4.99 113.62 108.18 1um1 n SER 2 Ca 0.00 1.19 -0.12 0.00 1.01 0.00 0.00 58.87 60.94 1um1 n SER 2 Cb 0.00 -4.39 -0.05 0.00 -1.01 0.00 0.00 64.21 58.76 1um1 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1um1 n SER 3 N 0.89 1.89 0.00 6.43 2.88 -1.26 -5.13 113.62 119.33 1um1 n SER 3 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1um1 n SER 3 Cb 0.00 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1um1 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um1 n GLY 4 N 1.48 0.29 3.97 0.46 0.00 -1.26 -5.07 105.19 105.05 1um1 n GLY 4 Ca -0.20 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1um1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 5 N -1.06 5.31 -0.14 1.61 0.15 -1.26 -5.10 113.70 113.21 1um1 s SER 5 Ca 0.00 -0.66 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 1um1 s SER 5 Cb 0.00 -0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 1um1 s SER 5 CO 0.00 -0.89 0.33 -0.44 1.20 0.00 0.00 173.24 173.44 1um1 s SER 6 N -4.36 6.51 -0.02 5.45 0.01 -1.26 -5.08 113.70 114.95 1um1 s SER 6 Ca 0.53 0.60 0.02 0.00 1.31 0.00 0.00 55.95 58.40 1um1 s SER 6 Cb -0.07 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1um1 s SER 6 CO 0.32 0.11 -0.06 -0.83 0.41 0.00 0.00 173.24 173.20 1um1 s GLY 7 N 0.32 0.37 0.20 3.44 0.00 -1.26 -5.14 107.32 105.25 1um1 s GLY 7 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1um1 s GLY 7 CO 0.06 0.05 0.08 -2.52 0.00 0.00 0.00 173.10 170.78 1um1 s TYR 8 N 0.30 1.20 0.33 1.90 -0.85 -1.26 -5.05 117.35 113.92 1um1 s TYR 8 Ca -0.04 -1.24 0.10 0.00 -0.52 0.00 0.00 57.07 55.37 1um1 s TYR 8 Cb -0.08 -0.65 -0.06 0.00 0.38 0.00 0.00 41.96 41.55 1um1 s TYR 8 CO -0.00 -0.47 -0.11 0.54 -1.52 0.00 0.00 175.55 173.99 1um1 s VAL 9 N -3.95 2.25 -0.10 -3.49 0.11 -1.26 -0.56 120.40 113.40 1um1 s VAL 9 Ca 0.33 -2.23 -0.10 0.00 -2.93 0.00 0.00 61.98 57.05 1um1 s VAL 9 Cb 0.07 -2.59 0.03 0.00 -1.53 0.00 0.00 36.38 32.36 1um1 s VAL 9 CO 0.09 -0.23 0.27 0.72 -3.33 0.00 0.00 175.10 172.62 1um1 s PHE 10 N -2.61 -0.30 0.38 1.54 -0.71 0.28 -4.87 117.98 111.69 1um1 s PHE 10 Ca 0.32 0.72 -0.09 0.00 -1.04 0.00 0.00 56.93 56.84 1um1 s PHE 10 Cb 0.01 0.10 -0.06 0.00 -1.21 0.00 0.00 43.02 41.87 1um1 s PHE 10 CO 0.16 -0.15 0.73 0.99 -1.34 0.00 0.00 175.22 175.61 1um1 s THR 11 N 0.11 4.83 -0.17 -4.49 2.01 -1.26 -0.61 115.64 116.06 1um1 s THR 11 Ca -0.00 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.47 1um1 s THR 11 Cb -0.02 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1um1 s THR 11 CO 0.00 -0.48 0.02 -0.69 -0.69 0.00 0.00 174.62 172.78 1um1 s VAL 12 N -2.32 0.58 -0.40 3.82 1.01 0.68 -4.89 120.40 118.88 1um1 s VAL 12 Ca 0.50 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1um1 s VAL 12 Cb -0.10 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1um1 s VAL 12 CO 0.31 -0.11 0.25 -1.61 0.00 0.00 0.00 175.10 173.94 1um1 s GLU 13 N 1.84 2.80 0.51 2.72 2.02 -1.26 -0.86 118.70 126.47 1um1 s GLU 13 Ca -0.00 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.81 1um1 s GLU 13 Cb -0.16 -3.82 -0.01 0.00 0.10 0.00 0.00 34.13 30.24 1um1 s GLU 13 CO -0.07 -0.81 0.04 -0.51 0.02 0.00 0.00 175.26 173.93 1um1 s LEU 14 N 1.55 2.36 -0.22 1.80 1.43 0.14 -4.96 118.68 120.78 1um1 s LEU 14 Ca 0.03 -1.60 0.01 0.00 -1.03 0.00 0.00 54.13 51.54 1um1 s LEU 14 Cb -0.21 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1um1 s LEU 14 CO 0.06 -0.86 -0.15 -0.70 0.23 0.00 0.00 176.35 174.94 1um1 s GLU 15 N -3.91 2.74 -0.85 1.70 2.12 -1.26 -0.36 118.70 118.88 1um1 s GLU 15 Ca 0.10 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 1um1 s GLU 15 Cb 0.02 -2.74 -0.20 0.00 0.26 0.00 0.00 34.13 31.47 1um1 s GLU 15 CO 0.05 -0.35 2.40 -2.13 -0.54 0.00 0.00 175.26 174.69 1um1 n ARG 16 N 4.57 0.00 -0.24 4.30 0.63 -0.31 -4.74 116.66 120.87 1um1 n ARG 16 Ca -0.18 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.65 1um1 n ARG 16 Cb 0.47 -1.37 0.09 0.00 0.45 0.00 0.00 32.46 32.10 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 6.09 -2.23 0.25 5.14 0.00 -1.26 -4.70 105.19 108.47 1um1 n GLY 17 Ca 0.59 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1um1 n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um1 h PRO 18 N 0.00 0.00 0.00 1.61 0.13 -1.91 -2.94 132.00 128.89 1um1 h PRO 18 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1um1 h PRO 18 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1um1 h PRO 18 CO 0.07 0.01 -0.97 0.45 -0.23 0.00 0.00 178.00 177.33 1um1 n SER 19 N -3.10 0.83 0.00 1.44 2.88 -1.26 -4.98 113.62 109.43 1um1 n SER 19 Ca 0.02 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1um1 n SER 19 Cb 0.42 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um1 n GLY 20 N 1.42 0.61 7.00 0.46 0.00 -1.11 -5.00 105.19 108.56 1um1 n GLY 20 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -2.72 0.99 4.77 -1.26 -4.75 117.00 114.03 1um1 n LEU 21 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1um1 n LEU 21 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1um1 n LEU 21 CO 0.00 -0.06 0.40 0.61 -1.33 0.00 0.00 177.39 177.02 1um1 n GLY 22 N 0.00 0.38 2.74 -0.72 0.00 -1.26 -4.72 105.19 101.61 1um1 n GLY 22 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 0.23 0.51 -1.08 1.61 1.00 -1.26 -0.61 119.30 119.70 1um1 s MET 23 Ca 0.22 0.04 -0.13 0.00 0.00 0.00 0.00 55.69 55.81 1um1 s MET 23 Cb 0.30 -1.17 0.20 0.00 0.00 0.00 0.00 34.83 34.16 1um1 s MET 23 CO -0.07 -0.38 1.20 0.20 0.00 0.00 0.00 175.02 175.97 1um1 s GLY 24 N 1.98 2.58 0.36 -0.03 0.00 -1.11 -4.98 107.32 106.13 1um1 s GLY 24 Ca 0.04 -3.38 -0.27 0.00 0.00 0.00 0.00 44.72 41.11 1um1 s GLY 24 CO -0.06 1.75 1.18 1.08 0.00 0.00 0.00 173.10 177.05 1um1 s LEU 25 N 0.83 4.31 0.16 0.66 2.01 -1.26 -2.37 118.68 123.01 1um1 s LEU 25 Ca 0.34 2.39 0.09 0.00 0.01 0.00 0.00 54.13 56.96 1um1 s LEU 25 Cb -0.06 -3.88 -0.04 0.00 0.01 0.00 0.00 46.19 42.22 1um1 s LEU 25 CO -0.05 -0.54 -0.19 -0.51 1.01 0.00 0.00 176.35 176.07 1um1 s ILE 26 N -1.32 1.84 -0.15 -0.59 2.07 -0.89 -4.90 121.20 117.26 1um1 s ILE 26 Ca 0.53 -1.87 -0.29 0.00 -1.41 0.00 0.00 60.65 57.61 1um1 s ILE 26 Cb -0.33 -1.82 -0.01 0.00 0.13 0.00 0.00 42.46 40.43 1um1 s ILE 26 CO 0.42 -0.26 1.21 -0.62 -1.91 0.00 0.00 174.94 173.78 1um1 s ASP 27 N -2.54 6.99 0.50 4.50 -1.08 -1.26 -1.84 116.67 121.94 1um1 s ASP 27 Ca 0.15 1.67 0.30 0.00 -0.52 0.00 0.00 52.55 54.14 1um1 s ASP 27 Cb -0.07 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.25 1um1 s ASP 27 CO 0.06 -0.71 1.82 1.23 0.52 0.00 0.00 175.17 178.10 1um1 h GLY 28 N 9.36 0.36 2.00 2.66 0.00 0.14 1.47 103.07 119.06 1um1 h GLY 28 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1um1 h GLY 28 CO 0.95 -0.04 0.00 -0.33 0.00 0.00 0.00 176.54 177.13 1um1 h MET 29 N 0.12 0.00 0.09 4.80 2.86 -1.28 -2.13 114.93 119.39 1um1 h MET 29 Ca 0.53 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.86 1um1 h MET 29 Cb 1.85 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.49 1um1 h MET 29 CO -0.09 0.00 -1.59 0.45 1.06 0.00 0.00 176.91 176.74 1um1 h HIS 30 N 0.00 0.33 -4.12 -0.22 3.86 0.17 -3.42 115.15 111.75 1um1 h HIS 30 Ca 0.00 -0.24 -0.46 0.00 -1.16 0.00 0.00 60.37 58.51 1um1 h HIS 30 Cb 0.44 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1um1 h HIS 30 CO 0.00 1.33 0.35 0.95 0.86 0.00 0.00 177.93 181.42 1um1 s THR 31 N -2.61 4.48 0.59 2.45 -4.23 -0.92 -4.89 115.64 110.51 1um1 s THR 31 Ca -0.09 1.32 0.33 0.00 -1.18 0.00 0.00 61.69 62.07 1um1 s THR 31 Cb 0.07 -3.67 0.48 0.00 1.34 0.00 0.00 72.50 70.72 1um1 s THR 31 CO 0.83 -0.52 1.57 -0.74 -0.54 0.00 0.00 174.62 175.21 1um1 h HIS 32 N 1.36 0.00 -1.07 3.99 2.76 -1.76 0.86 115.15 121.29 1um1 h HIS 32 Ca -0.48 0.00 0.29 0.00 -2.20 0.00 0.00 60.37 57.99 1um1 h HIS 32 Cb 1.18 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.04 1um1 h HIS 32 CO 0.63 0.00 0.68 1.25 -1.30 0.00 0.00 177.93 179.19 1um1 h LEU 33 N 0.00 0.45 2.45 0.26 5.85 -1.74 -3.44 115.31 119.14 1um1 h LEU 33 Ca 0.52 0.11 -0.31 0.00 0.84 0.00 0.00 57.88 59.04 1um1 h LEU 33 Cb 2.57 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 43.61 1um1 h LEU 33 CO -0.01 0.03 -0.38 0.61 -0.34 0.00 0.00 178.44 178.36 1um1 n GLY 34 N -1.45 -0.19 3.49 3.75 0.00 0.30 -4.95 105.19 106.14 1um1 n GLY 34 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.69 2.71 0.29 4.61 0.00 -1.09 -4.79 121.76 120.79 1um1 s ALA 35 Ca 0.00 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1um1 s ALA 35 Cb 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 1um1 s ALA 35 CO 0.00 0.51 1.08 -1.25 0.00 0.00 0.00 175.76 176.10 1um1 s PRO 36 N -2.47 4.61 0.00 0.00 0.04 -1.26 -0.99 135.00 134.93 1um1 s PRO 36 Ca 0.20 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1um1 s PRO 36 Cb -0.09 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1um1 s PRO 36 CO 0.11 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.77 1um1 n GLY 37 N 1.13 3.48 3.90 0.56 0.00 -1.26 -4.86 105.19 108.14 1um1 n GLY 37 Ca -0.01 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 4.37 -0.01 0.99 1.43 -1.26 0.16 118.68 124.36 1um1 s LEU 38 Ca 0.00 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1um1 s LEU 38 Cb 0.00 -2.66 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 1um1 s LEU 38 CO 0.00 0.25 0.04 -0.31 0.23 0.00 0.00 176.35 176.56 1um1 s TYR 39 N -1.34 0.03 -0.07 0.29 1.51 -0.76 -1.72 117.35 115.29 1um1 s TYR 39 Ca 0.28 -0.04 -0.33 0.00 -1.01 0.00 0.00 57.07 55.96 1um1 s TYR 39 Cb -0.13 -0.03 -0.11 0.00 -0.11 0.00 0.00 41.96 41.58 1um1 s TYR 39 CO 0.19 -0.08 1.90 -0.89 -1.11 0.00 0.00 175.55 175.56 1um1 n ILE 40 N 2.61 0.62 -0.05 2.71 5.41 0.66 -2.11 119.36 129.21 1um1 n ILE 40 Ca -0.16 -0.11 -0.06 0.00 1.00 0.00 0.00 62.75 63.43 1um1 n ILE 40 Cb 0.58 -1.95 -0.08 0.00 -0.71 0.00 0.00 39.64 37.48 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 6.84 2.10 -4.06 0.38 7.27 -1.00 0.19 117.38 129.10 1um1 n GLN 41 Ca 0.22 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.20 1um1 n GLN 41 Cb 0.31 -1.26 -0.08 0.00 2.41 0.00 0.00 30.24 31.62 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 -2.25 0.05 -0.22 1.69 -4.23 -1.16 -4.86 115.64 104.66 1um1 s THR 42 Ca -0.06 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1um1 s THR 42 Cb 0.03 -2.09 0.10 0.00 1.34 0.00 0.00 72.50 71.89 1um1 s THR 42 CO 0.41 -0.22 0.23 -0.76 -0.54 0.00 0.00 174.62 173.74 1um1 s LEU 43 N -3.04 -0.11 0.90 4.79 1.43 -1.26 -2.73 118.68 118.66 1um1 s LEU 43 Ca 0.24 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1um1 s LEU 43 Cb 0.04 0.39 0.07 0.00 0.03 0.00 0.00 46.19 46.73 1um1 s LEU 43 CO 0.04 -0.34 0.77 0.18 0.23 0.00 0.00 176.35 177.23 1um1 n LEU 44 N 5.32 1.68 0.00 1.79 4.32 0.21 -4.92 117.00 125.40 1um1 n LEU 44 Ca -0.05 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 1um1 n LEU 44 Cb 0.49 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 1um1 n LEU 44 CO 0.07 -2.84 0.01 -0.81 -1.22 0.00 0.00 177.39 172.61 1um1 n PRO 45 N -2.62 0.00 -0.63 3.23 -0.04 -1.26 -4.28 135.00 129.40 1um1 n PRO 45 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1um1 n PRO 45 Cb 0.52 -0.22 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 1um1 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1um1 n GLY 46 N 2.15 2.48 3.40 0.55 0.00 -1.26 -4.66 105.19 107.86 1um1 n GLY 46 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 4.36 1.97 0.11 1.61 1.04 -1.26 -5.00 113.70 116.53 1um1 s SER 47 Ca 0.36 -1.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.32 1um1 s SER 47 Cb 0.09 -0.00 -0.13 0.00 0.10 0.00 0.00 66.02 66.08 1um1 s SER 47 CO 0.03 -0.65 1.28 1.55 0.98 0.00 0.00 173.24 176.44 1um1 h PRO 48 N 2.21 0.59 0.12 4.02 0.13 -1.86 -2.86 132.00 134.34 1um1 h PRO 48 Ca -0.40 -0.58 -0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1um1 h PRO 48 Cb 1.25 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1um1 h PRO 48 CO 0.67 1.19 -0.12 0.00 -0.23 0.00 0.00 178.00 179.51 1um1 h ALA 49 N 0.62 -0.84 -1.00 -0.56 0.00 -1.92 -1.46 119.26 114.10 1um1 h ALA 49 Ca -0.08 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1um1 h ALA 49 Cb 1.55 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.56 1um1 h ALA 49 CO 0.17 -0.85 0.57 0.00 0.00 0.00 0.00 179.25 179.14 1um1 h ALA 50 N -1.56 1.86 -0.32 0.00 0.00 -1.75 0.28 119.26 117.78 1um1 h ALA 50 Ca -0.01 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1um1 h ALA 50 Cb 0.20 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1um1 h ALA 50 CO -0.01 -0.43 -0.33 0.00 0.00 0.00 0.00 179.25 178.48 1um1 h ALA 51 N 1.79 -0.26 -0.55 0.00 0.00 -1.13 0.05 119.26 119.17 1um1 h ALA 51 Ca 0.69 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.78 1um1 h ALA 51 Cb 1.45 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 19.83 1um1 h ALA 51 CO -0.55 -0.76 -0.14 0.22 0.00 0.00 0.00 179.25 178.02 1um1 h ASP 52 N -0.30 -0.53 0.00 0.00 3.58 0.57 -3.45 116.42 116.29 1um1 h ASP 52 Ca 0.15 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1um1 h ASP 52 Cb 0.54 0.35 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1um1 h ASP 52 CO -0.49 -0.19 0.00 0.61 -2.88 0.00 0.00 179.24 176.30 1um1 n GLY 53 N -1.39 2.48 0.31 -0.78 0.00 0.00 -4.78 105.19 101.02 1um1 n GLY 53 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.50 -5.61 1.61 1.12 -1.86 -3.38 114.38 106.77 1um1 h ARG 54 Ca 0.00 -0.03 -0.51 0.00 -1.11 0.00 0.00 59.98 58.33 1um1 h ARG 54 Cb 0.00 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 1um1 h ARG 54 CO 0.00 0.33 1.61 1.28 -3.11 0.00 0.00 179.97 180.09 1um1 n LEU 55 N -4.95 2.12 -4.76 3.80 4.77 -1.26 -4.91 117.00 111.81 1um1 n LEU 55 Ca 0.18 -0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1um1 n LEU 55 Cb 0.51 -1.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.10 1um1 n LEU 55 CO 0.18 -1.23 -0.19 -0.44 -1.33 0.00 0.00 177.39 174.37 1um1 s SER 56 N 10.68 4.98 0.12 -1.43 0.01 -1.26 -4.86 113.70 121.94 1um1 s SER 56 Ca 1.05 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 57.44 1um1 s SER 56 Cb -0.44 -0.95 -0.07 0.00 0.21 0.00 0.00 66.02 64.78 1um1 s SER 56 CO 0.33 -0.20 1.13 -0.76 0.41 0.00 0.00 173.24 174.15 1um1 s LEU 57 N -3.85 4.43 0.00 2.44 1.43 -1.26 -2.96 118.68 118.91 1um1 s LEU 57 Ca 0.36 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1um1 s LEU 57 Cb -0.05 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1um1 s LEU 57 CO 0.24 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1um1 n GLY 58 N 2.53 2.93 3.34 -3.19 0.00 0.50 -4.81 105.19 106.49 1um1 n GLY 58 Ca 0.05 0.00 -0.33 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 -2.41 -4.08 1.61 8.00 -1.16 -4.51 116.55 114.01 1um1 n ASP 59 Ca 0.00 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 1um1 n ASP 59 Cb 0.00 -1.09 -0.16 0.00 -0.02 0.00 0.00 41.12 39.85 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 -3.46 1.44 -0.10 -1.24 3.52 -1.26 -0.25 118.95 117.61 1um1 s ARG 60 Ca 0.55 -0.48 -0.20 0.00 -0.13 0.00 0.00 55.73 55.47 1um1 s ARG 60 Cb -0.17 -1.28 -0.04 0.00 -1.56 0.00 0.00 34.95 31.90 1um1 s ARG 60 CO 0.68 0.18 0.56 0.42 -0.81 0.00 0.00 175.30 176.33 1um1 s ILE 61 N 0.12 5.14 -0.13 4.11 -1.09 -0.70 -2.45 121.20 126.20 1um1 s ILE 61 Ca -0.04 1.13 0.09 0.00 -2.23 0.00 0.00 60.65 59.60 1um1 s ILE 61 Cb -0.10 -3.90 -0.14 0.00 -1.58 0.00 0.00 42.46 36.74 1um1 s ILE 61 CO 0.01 0.30 0.00 0.18 -1.23 0.00 0.00 174.94 174.20 1um1 n LEU 62 N 3.74 0.65 -3.84 2.97 4.77 0.11 -4.58 117.00 120.81 1um1 n LEU 62 Ca -0.05 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1um1 n LEU 62 Cb 0.51 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1um1 n LEU 62 CO 0.44 0.41 -0.08 -1.61 -1.33 0.00 0.00 177.39 175.22 1um1 s GLU 63 N -2.30 0.79 -0.17 3.23 2.02 -1.24 -2.28 118.70 118.74 1um1 s GLU 63 Ca -0.09 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.06 1um1 s GLU 63 Cb 0.04 0.32 0.06 0.00 0.10 0.00 0.00 34.13 34.65 1um1 s GLU 63 CO 0.48 -0.24 0.07 0.08 0.02 0.00 0.00 175.26 175.66 1um1 s VAL 64 N -3.29 0.14 -1.98 2.63 1.01 -1.05 -0.51 120.40 117.37 1um1 s VAL 64 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1um1 s VAL 64 Cb 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1um1 s VAL 64 CO -0.08 -0.23 0.00 0.59 0.00 0.00 0.00 175.10 175.39 1um1 n ASN 65 N 5.19 -5.27 -0.32 3.32 3.02 0.20 -1.58 115.26 119.82 1um1 n ASN 65 Ca -0.08 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1um1 n ASN 65 Cb 0.48 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 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 -0.68 0.96 2.92 7.41 0.00 -1.26 -4.92 105.19 109.61 1um1 n GLY 66 Ca -0.19 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.71 3.80 -0.26 1.61 0.15 -0.61 -5.08 113.70 110.59 1um1 s SER 67 Ca 0.00 -1.17 -0.40 0.00 0.70 0.00 0.00 55.95 55.08 1um1 s SER 67 Cb 0.00 -1.14 -0.16 0.00 -1.71 0.00 0.00 66.02 63.01 1um1 s SER 67 CO 0.00 -0.24 1.71 -1.54 1.20 0.00 0.00 173.24 174.37 1um1 n SER 68 N 4.69 2.29 -3.39 5.45 3.41 -1.26 -2.51 113.62 122.30 1um1 n SER 68 Ca -0.12 1.08 -0.36 0.00 -0.26 0.00 0.00 58.87 59.22 1um1 n SER 68 Cb 0.44 -1.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1um1 n SER 68 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1um1 n LEU 69 N 5.13 6.31 0.00 1.04 4.77 -0.97 -4.71 117.00 128.58 1um1 n LEU 69 Ca 0.26 -5.50 0.00 0.00 -0.03 0.00 0.00 56.01 50.74 1um1 n LEU 69 Cb 0.13 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1um1 n LEU 69 CO 0.80 2.16 0.00 0.18 -1.33 0.00 0.00 177.39 179.20 1um1 n LEU 70 N -0.11 0.00 -1.97 2.23 4.77 -1.26 -4.68 117.00 115.98 1um1 n LEU 70 Ca 0.41 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 1um1 n LEU 70 Cb 0.31 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1um1 n LEU 70 CO 0.46 -0.40 1.23 0.61 -1.33 0.00 0.00 177.39 177.95 1um1 n GLY 71 N 2.14 4.41 3.60 -0.72 0.00 -1.26 -4.89 105.19 108.46 1um1 n GLY 71 Ca 0.00 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.34 3.48 0.55 0.99 1.43 -1.26 -5.10 118.68 116.44 1um1 s LEU 72 Ca 0.40 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 1um1 s LEU 72 Cb 0.32 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1um1 s LEU 72 CO 0.01 0.26 1.06 -0.83 0.23 0.00 0.00 176.35 177.08 1um1 s GLY 73 N -0.17 2.31 0.32 -3.19 0.00 -1.26 -4.72 107.32 100.61 1um1 s GLY 73 Ca 0.05 0.51 0.09 0.00 0.00 0.00 0.00 44.72 45.36 1um1 s GLY 73 CO 0.02 0.83 1.75 -1.82 0.00 0.00 0.00 173.10 173.89 1um1 h TYR 74 N 0.90 1.01 0.00 1.90 5.03 -1.98 1.40 116.97 125.22 1um1 h TYR 74 Ca -0.48 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 60.81 1um1 h TYR 74 Cb 1.22 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 1um1 h TYR 74 CO 0.57 0.14 -0.24 -0.07 -1.32 0.00 0.00 178.16 177.24 1um1 h LEU 75 N 0.64 0.00 0.18 2.82 3.38 -1.99 -0.75 115.31 119.60 1um1 h LEU 75 Ca 0.61 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.34 1um1 h LEU 75 Cb 1.11 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.88 1um1 h LEU 75 CO -0.42 0.24 -1.07 0.03 0.09 0.00 0.00 178.44 177.30 1um1 h ARG 76 N 0.00 0.38 0.17 1.13 2.47 0.12 -2.82 114.38 115.84 1um1 h ARG 76 Ca -0.00 -0.66 -0.01 0.00 -1.26 0.00 0.00 59.98 58.05 1um1 h ARG 76 Cb 0.84 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1um1 h ARG 76 CO 0.03 1.31 -0.08 0.00 0.56 0.00 0.00 179.97 181.79 1um1 h ALA 77 N 0.10 -0.23 -0.54 0.04 0.00 0.28 -1.06 119.26 117.85 1um1 h ALA 77 Ca -0.19 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.65 1um1 h ALA 77 Cb 1.83 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.62 1um1 h ALA 77 CO 0.19 -0.46 -0.06 -0.24 0.00 0.00 0.00 179.25 178.68 1um1 h VAL 78 N -0.56 0.51 0.18 0.00 3.04 -1.27 -0.71 116.25 117.43 1um1 h VAL 78 Ca -0.02 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.66 1um1 h VAL 78 Cb 0.43 0.45 -0.03 0.00 -2.01 0.00 0.00 31.29 30.13 1um1 h VAL 78 CO 0.04 0.01 -0.27 -0.78 -1.01 0.00 0.00 177.57 175.56 1um1 h ASP 79 N 0.06 -0.75 -0.92 3.17 3.58 -1.42 0.69 116.42 120.83 1um1 h ASP 79 Ca 0.27 0.08 0.17 0.00 0.42 0.00 0.00 57.03 57.97 1um1 h ASP 79 Cb 0.42 0.27 -0.17 0.00 1.72 0.00 0.00 39.33 41.58 1um1 h ASP 79 CO -0.50 -0.37 -0.27 -0.07 -2.88 0.00 0.00 179.24 175.14 1um1 h LEU 80 N -0.52 -1.01 -0.28 2.28 3.38 0.19 0.90 115.31 120.25 1um1 h LEU 80 Ca 0.01 0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1um1 h LEU 80 Cb 0.52 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1um1 h LEU 80 CO -0.12 -0.30 -0.06 0.40 0.09 0.00 0.00 178.44 178.45 1um1 h ILE 81 N -0.01 1.28 -0.18 1.22 5.03 -0.52 -2.03 117.51 122.30 1um1 h ILE 81 Ca 0.41 -1.07 0.05 0.00 -0.12 0.00 0.00 64.86 64.13 1um1 h ILE 81 Cb 0.65 1.40 -0.07 0.00 -3.03 0.00 0.00 36.82 35.78 1um1 h ILE 81 CO -0.94 0.34 -0.34 0.03 -0.68 0.00 0.00 178.15 176.55 1um1 h ARG 82 N 0.30 -0.38 -1.25 2.37 3.08 0.66 0.11 114.38 119.27 1um1 h ARG 82 Ca 0.07 0.03 -0.35 0.00 0.07 0.00 0.00 59.98 59.79 1um1 h ARG 82 Cb 0.53 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.49 1um1 h ARG 82 CO 0.03 -0.25 0.45 0.72 -1.07 0.00 0.00 179.97 179.85 1um1 n HIS 83 N -5.42 1.83 0.00 3.04 8.25 0.25 -4.79 115.22 118.38 1um1 n HIS 83 Ca -0.03 -1.80 0.00 0.00 -0.26 0.00 0.00 57.72 55.63 1um1 n HIS 83 Cb 0.34 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.56 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 -0.12 0.00 0.00 -1.41 0.00 0.39 -4.94 105.19 99.11 1um1 n GLY 84 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1um1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um1 n GLY 85 N 0.00 -0.20 5.00 -0.02 0.00 -1.26 -4.91 105.19 103.80 1um1 n GLY 85 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1um1 n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1um1 n LYS 86 N 0.00 0.00 -3.19 1.61 4.81 -1.26 -4.69 118.16 115.44 1um1 n LYS 86 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1um1 n LYS 86 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1um1 n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1um1 s LYS 87 N 0.00 3.16 -0.26 1.64 1.02 -1.26 -1.17 119.74 122.88 1um1 s LYS 87 Ca 0.00 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 1um1 s LYS 87 Cb 0.00 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 1um1 s LYS 87 CO 0.00 -1.06 0.10 -1.64 -0.92 0.00 0.00 175.35 171.84 1um1 s MET 88 N 2.55 3.74 0.10 1.68 -1.94 0.52 -4.92 119.30 121.03 1um1 s MET 88 Ca 0.17 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 53.78 1um1 s MET 88 Cb -0.17 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 1um1 s MET 88 CO 0.15 -0.17 -0.10 0.50 -0.01 0.00 0.00 175.02 175.38 1um1 s ARG 89 N 1.62 2.15 -0.11 2.03 3.52 -1.26 0.27 118.95 127.16 1um1 s ARG 89 Ca 0.06 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.60 1um1 s ARG 89 Cb -0.15 -2.31 0.05 0.00 -1.56 0.00 0.00 34.95 30.98 1um1 s ARG 89 CO 0.06 0.51 0.25 -0.06 -0.81 0.00 0.00 175.30 175.25 1um1 s PHE 90 N -1.20 -0.35 -0.86 5.12 0.08 -0.04 0.58 117.98 121.30 1um1 s PHE 90 Ca 0.21 0.84 -0.20 0.00 0.12 0.00 0.00 56.93 57.90 1um1 s PHE 90 Cb -0.11 0.03 0.11 0.00 -0.57 0.00 0.00 43.02 42.48 1um1 s PHE 90 CO 0.13 -0.26 1.10 -1.17 -0.10 0.00 0.00 175.22 174.92 1um1 s LEU 91 N 1.53 4.74 -0.11 -0.37 2.96 0.34 -0.23 118.68 127.55 1um1 s LEU 91 Ca -0.07 -1.69 -0.19 0.00 -0.22 0.00 0.00 54.13 51.96 1um1 s LEU 91 Cb -0.11 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1um1 s LEU 91 CO -0.09 -1.21 0.50 -0.69 -1.32 0.00 0.00 176.35 173.54 1um1 s VAL 92 N 3.26 5.16 -0.19 1.68 1.01 0.22 0.09 120.40 131.63 1um1 s VAL 92 Ca 0.31 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 1um1 s VAL 92 Cb -0.08 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1um1 s VAL 92 CO -0.04 0.33 0.12 0.00 0.00 0.00 0.00 175.10 175.51 1um1 s ALA 93 N 0.55 3.66 -0.69 5.51 0.00 -1.02 0.99 121.76 130.76 1um1 s ALA 93 Ca 0.27 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1um1 s ALA 93 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1um1 s ALA 93 CO 0.11 0.19 1.98 0.21 0.00 0.00 0.00 175.76 178.25 1um1 s LYS 94 N 0.28 2.49 0.38 0.00 2.47 0.27 -4.27 119.74 121.37 1um1 s LYS 94 Ca 0.08 0.45 0.04 0.00 -1.56 0.00 0.00 55.97 54.98 1um1 s LYS 94 Cb -0.11 -4.61 -0.01 0.00 -1.46 0.00 0.00 37.83 31.64 1um1 s LYS 94 CO -0.01 -3.06 0.56 0.45 0.16 0.00 0.00 175.35 173.44 1um1 s SER 95 N 8.70 5.93 1.01 1.43 0.15 -1.26 -4.41 113.70 125.25 1um1 s SER 95 Ca 0.73 0.05 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 1um1 s SER 95 Cb -0.12 -1.41 0.20 0.00 -1.71 0.00 0.00 66.02 62.98 1um1 s SER 95 CO 0.15 -0.53 1.13 -1.81 1.20 0.00 0.00 173.24 173.38 1um1 s ASP 96 N -4.18 2.56 0.09 5.45 1.01 -1.26 -4.96 116.67 115.38 1um1 s ASP 96 Ca 0.46 0.88 -0.19 0.00 0.71 0.00 0.00 52.55 54.41 1um1 s ASP 96 Cb -0.10 -1.36 -0.08 0.00 1.01 0.00 0.00 42.92 42.40 1um1 s ASP 96 CO 0.34 -3.13 1.55 0.58 0.21 0.00 0.00 175.17 174.72 1um1 h VAL 97 N -1.90 1.24 -0.98 -1.27 2.07 -2.00 -3.11 116.25 110.29 1um1 h VAL 97 Ca -0.50 -0.81 0.13 0.00 0.82 0.00 0.00 66.70 66.34 1um1 h VAL 97 Cb 1.32 1.27 -0.14 0.00 -1.52 0.00 0.00 31.29 32.21 1um1 h VAL 97 CO 0.52 0.26 -0.45 -0.62 0.02 0.00 0.00 177.57 177.30 1um1 n GLU 98 N -4.67 -0.30 -0.32 1.57 1.02 -1.26 0.14 120.64 116.83 1um1 n GLU 98 Ca -0.03 1.50 0.17 0.00 -0.02 0.00 0.00 57.16 58.79 1um1 n GLU 98 Cb 0.21 -2.23 0.36 0.00 -0.02 0.00 0.00 31.44 29.76 1um1 n GLU 98 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1um1 h THR 99 N 0.00 0.21 -0.07 2.62 2.02 -1.92 0.53 112.91 116.30 1um1 h THR 99 Ca 0.28 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1um1 h THR 99 Cb 0.53 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1um1 h THR 99 CO -0.96 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 174.95 1um1 h ALA 100 N 1.86 0.10 -0.87 6.16 0.00 0.12 -2.85 119.26 123.77 1um1 h ALA 100 Ca 0.63 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.49 1um1 h ALA 100 Cb 1.37 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 1um1 h ALA 100 CO -0.72 -0.20 -0.34 0.87 0.00 0.00 0.00 179.25 178.85 1um1 h LYS 101 N -0.18 -0.04 -0.76 0.00 1.57 0.20 1.34 116.57 118.70 1um1 h LYS 101 Ca 0.02 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1um1 h LYS 101 Cb 0.38 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 1um1 h LYS 101 CO 0.01 -0.03 0.39 0.87 -0.57 0.00 0.00 179.45 180.12 1um1 h LYS 102 N -0.04 0.62 0.00 3.15 6.56 -1.18 0.68 116.57 126.36 1um1 h LYS 102 Ca 0.34 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 1um1 h LYS 102 Cb 0.60 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1um1 h LYS 102 CO -0.90 0.41 -0.03 0.82 -2.06 0.00 0.00 179.45 177.69 1um1 h ILE 103 N 0.64 0.32 -3.06 1.86 1.08 0.18 -2.88 117.51 115.65 1um1 h ILE 103 Ca 0.38 -0.19 -0.60 0.00 -0.39 0.00 0.00 64.86 64.07 1um1 h ILE 103 Cb 0.42 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 35.26 1um1 h ILE 103 CO -0.29 0.03 -0.25 -1.00 -0.69 0.00 0.00 178.15 175.96 1um1 s HIS 104 N -4.27 3.61 -0.26 1.37 3.76 0.24 -4.87 115.29 114.86 1um1 s HIS 104 Ca -0.04 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1um1 s HIS 104 Cb 0.13 -2.17 0.08 0.00 1.11 0.00 0.00 32.58 31.73 1um1 s HIS 104 CO 0.51 0.56 0.01 -1.54 -0.85 0.00 0.00 174.74 173.43 1um1 s SER 105 N -1.59 3.91 0.00 1.40 1.04 -1.26 -4.86 113.70 112.34 1um1 s SER 105 Ca 0.30 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1um1 s SER 105 Cb -0.14 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1um1 s SER 105 CO 0.17 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1um1 n GLY 106 N 4.70 0.79 3.63 7.32 0.00 -1.26 -5.02 105.19 115.36 1um1 n GLY 106 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 0.62 3.89 -0.04 1.61 0.04 -1.26 -4.88 135.00 134.99 1um1 s PRO 107 Ca 0.00 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.29 1um1 s PRO 107 Cb 0.00 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.62 1um1 s PRO 107 CO 0.00 -1.15 -0.09 0.43 0.04 0.00 0.00 177.00 176.23 1um1 n SER 108 N 7.75 0.56 -4.58 6.66 7.64 -1.26 -4.90 113.62 125.49 1um1 n SER 108 Ca 0.15 0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.70 1um1 n SER 108 Cb 0.46 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 1um1 n SER 108 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1um1 s SER 109 N -4.72 6.53 0.00 6.43 0.01 -1.26 -5.30 113.70 115.39 1um1 s SER 109 Ca -0.07 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1um1 s SER 109 Cb 0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1um1 s SER 109 CO 0.11 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.13