#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 -0.87 -1.35 1.61 2.88 -1.26 -5.17 113.62 109.47 1um1 n SER 2 Ca 0.00 0.50 0.10 0.00 -1.33 0.00 0.00 58.87 58.14 1um1 n SER 2 Cb 0.00 0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 64.39 1um1 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1um1 n SER 3 N -3.34 -7.28 -1.54 -3.46 2.88 -1.26 -5.09 113.62 94.54 1um1 n SER 3 Ca 0.00 1.46 -0.00 0.00 -1.33 0.00 0.00 58.87 59.00 1um1 n SER 3 Cb 0.00 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 58.97 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 -3.53 0.95 1.10 0.46 0.00 -1.26 -5.16 105.19 97.76 1um1 n GLY 4 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.61 -6.12 -4.24 1.61 7.64 -1.26 -4.96 113.62 105.68 1um1 n SER 5 Ca 0.00 1.02 -0.29 0.00 1.01 0.00 0.00 58.87 60.61 1um1 n SER 5 Cb 0.13 -3.10 0.20 0.00 -1.01 0.00 0.00 64.21 60.43 1um1 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1um1 s SER 6 N -3.60 2.05 0.00 6.43 1.04 -1.26 -5.08 113.70 113.28 1um1 s SER 6 Ca 0.00 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1um1 s SER 6 Cb 0.00 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.97 1um1 s SER 6 CO 0.00 -3.44 0.00 0.61 0.98 0.00 0.00 173.24 171.39 1um1 n GLY 7 N -1.58 3.01 3.41 7.32 0.00 -1.26 -5.16 105.19 110.93 1um1 n GLY 7 Ca 0.10 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1um1 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1um1 s TYR 8 N 3.27 2.27 0.15 1.61 -0.85 -1.26 -5.08 117.35 117.47 1um1 s TYR 8 Ca 0.00 -0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.23 1um1 s TYR 8 Cb 0.00 -1.14 -0.04 0.00 0.38 0.00 0.00 41.96 41.16 1um1 s TYR 8 CO 0.00 0.46 0.12 0.08 -1.52 0.00 0.00 175.55 174.69 1um1 s VAL 9 N -1.59 4.46 -0.00 -3.49 1.01 -1.26 -3.05 120.40 116.48 1um1 s VAL 9 Ca 0.19 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1um1 s VAL 9 Cb -0.08 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1um1 s VAL 9 CO 0.09 -0.08 0.00 0.72 0.00 0.00 0.00 175.10 175.83 1um1 s PHE 10 N -1.71 0.02 0.60 5.22 -0.71 -0.67 -4.97 117.98 115.77 1um1 s PHE 10 Ca 0.31 0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 56.12 1um1 s PHE 10 Cb -0.10 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1um1 s PHE 10 CO 0.23 -0.01 0.96 0.99 -1.34 0.00 0.00 175.22 176.05 1um1 s THR 11 N 0.12 4.17 -0.16 -4.49 2.01 -1.26 -2.66 115.64 113.38 1um1 s THR 11 Ca -0.01 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1um1 s THR 11 Cb -0.02 -3.66 0.06 0.00 0.01 0.00 0.00 72.50 68.89 1um1 s THR 11 CO -0.00 -0.77 0.11 -0.69 -0.69 0.00 0.00 174.62 172.57 1um1 s VAL 12 N -3.08 -0.13 -0.34 3.82 1.01 0.32 -4.94 120.40 117.07 1um1 s VAL 12 Ca 0.54 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 1um1 s VAL 12 Cb -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1um1 s VAL 12 CO 0.49 -0.20 0.15 -1.61 0.00 0.00 0.00 175.10 173.93 1um1 s GLU 13 N 2.17 2.89 0.36 2.72 2.02 -1.26 -1.38 118.70 126.22 1um1 s GLU 13 Ca 0.03 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 54.05 1um1 s GLU 13 Cb -0.15 -3.57 -0.06 0.00 0.10 0.00 0.00 34.13 30.45 1um1 s GLU 13 CO -0.09 -0.60 0.05 -0.51 0.02 0.00 0.00 175.26 174.13 1um1 s LEU 14 N 1.51 2.34 -0.23 1.80 1.43 -0.17 -4.98 118.68 120.37 1um1 s LEU 14 Ca 0.01 -1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1um1 s LEU 14 Cb -0.19 -0.50 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1um1 s LEU 14 CO 0.05 -0.61 -0.10 -0.70 0.23 0.00 0.00 176.35 175.22 1um1 s GLU 15 N -3.83 2.74 -0.66 1.70 2.12 -1.26 -0.22 118.70 119.28 1um1 s GLU 15 Ca 0.34 -1.02 -0.36 0.00 0.36 0.00 0.00 54.97 54.29 1um1 s GLU 15 Cb 0.08 -2.87 -0.19 0.00 0.26 0.00 0.00 34.13 31.42 1um1 s GLU 15 CO 0.15 -0.39 2.22 -2.13 -0.54 0.00 0.00 175.26 174.57 1um1 n ARG 16 N 4.61 0.00 -0.43 4.30 0.63 -0.99 -4.79 116.66 119.98 1um1 n ARG 16 Ca -0.17 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.64 1um1 n ARG 16 Cb 0.47 -1.40 0.10 0.00 0.45 0.00 0.00 32.46 32.08 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 6.61 -2.58 0.00 5.14 0.00 -1.26 -4.82 105.19 108.28 1um1 n GLY 17 Ca 0.56 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.89 0.07 0.00 1.61 -0.04 -1.26 -2.20 135.00 130.29 1um1 n PRO 18 Ca 0.06 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1um1 n PRO 18 Cb 0.24 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.46 1.65 -0.85 3.54 7.64 -1.26 -4.99 113.62 117.89 1um1 n SER 19 Ca 0.06 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1um1 n SER 19 Cb 0.24 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.87 0.53 6.52 0.23 0.00 -0.93 -4.82 105.19 107.57 1um1 n GLY 20 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.85 0.00 0.00 0.99 4.77 -1.26 -4.80 117.00 115.85 1um1 n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1um1 n LEU 21 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1um1 n LEU 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1um1 n GLY 22 N 0.00 -1.81 2.79 -0.72 0.00 -1.26 -4.34 105.19 99.85 1um1 n GLY 22 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.87 -0.96 1.61 1.00 -1.26 -2.69 119.30 117.87 1um1 s MET 23 Ca 0.00 -1.16 -0.21 0.00 0.00 0.00 0.00 55.69 54.32 1um1 s MET 23 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 34.83 32.51 1um1 s MET 23 CO 0.00 -0.94 1.94 0.41 0.00 0.00 0.00 175.02 176.43 1um1 n GLY 24 N 4.76 2.28 3.76 -0.03 0.00 -1.02 -4.91 105.19 110.02 1um1 n GLY 24 Ca -0.02 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 4.11 4.50 0.05 0.99 1.43 -1.26 0.52 118.68 129.02 1um1 s LEU 25 Ca 0.59 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1um1 s LEU 25 Cb 0.10 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1um1 s LEU 25 CO 0.11 0.04 -0.05 -0.51 0.23 0.00 0.00 176.35 176.17 1um1 s ILE 26 N -1.38 0.39 -0.05 -0.59 2.07 -0.15 -4.89 121.20 116.60 1um1 s ILE 26 Ca 0.45 -1.32 -0.30 0.00 -1.41 0.00 0.00 60.65 58.08 1um1 s ILE 26 Cb -0.23 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.45 1um1 s ILE 26 CO 0.28 -0.62 1.43 1.51 -1.91 0.00 0.00 174.94 175.63 1um1 s ASP 27 N -2.05 6.83 0.56 4.50 -4.77 -1.26 -1.64 116.67 118.84 1um1 s ASP 27 Ca -0.05 2.04 0.38 0.00 -3.30 0.00 0.00 52.55 51.62 1um1 s ASP 27 Cb -0.04 -2.55 1.50 0.00 -1.09 0.00 0.00 42.92 40.74 1um1 s ASP 27 CO -0.03 -0.78 1.69 1.23 0.70 0.00 0.00 175.17 177.99 1um1 h GLY 28 N 9.10 0.00 1.67 2.12 0.00 -0.07 1.44 103.07 117.33 1um1 h GLY 28 Ca -0.36 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1um1 h GLY 28 CO 0.93 0.00 -0.14 -0.33 0.00 0.00 0.00 176.54 177.00 1um1 h MET 29 N 0.00 0.41 -0.10 4.80 2.86 -1.28 0.48 114.93 122.09 1um1 h MET 29 Ca 0.60 -0.11 -0.21 0.00 -2.06 0.00 0.00 59.70 57.92 1um1 h MET 29 Cb 2.58 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 34.20 1um1 h MET 29 CO -0.01 0.55 -0.78 0.45 1.06 0.00 0.00 176.91 178.18 1um1 h HIS 30 N 0.38 0.78 -4.11 -0.22 -0.00 0.17 -3.39 115.15 108.75 1um1 h HIS 30 Ca 0.07 -0.36 -0.48 0.00 -0.00 0.00 0.00 60.37 59.60 1um1 h HIS 30 Cb 0.48 -0.12 0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1um1 h HIS 30 CO 0.01 1.15 0.33 0.95 -0.00 0.00 0.00 177.93 180.37 1um1 s THR 31 N -3.63 4.62 0.46 2.45 -4.23 -0.97 -4.91 115.64 109.43 1um1 s THR 31 Ca -0.08 1.02 0.32 0.00 -1.18 0.00 0.00 61.69 61.77 1um1 s THR 31 Cb 0.09 -3.75 0.52 0.00 1.34 0.00 0.00 72.50 70.70 1um1 s THR 31 CO 0.87 -0.74 1.63 0.45 -0.54 0.00 0.00 174.62 176.29 1um1 h HIS 32 N 0.74 0.43 -1.25 3.99 3.86 -1.73 0.81 115.15 122.01 1um1 h HIS 32 Ca -0.46 0.02 0.45 0.00 -1.16 0.00 0.00 60.37 59.22 1um1 h HIS 32 Cb 1.19 -0.11 -0.15 0.00 1.06 0.00 0.00 27.41 29.40 1um1 h HIS 32 CO 0.63 -0.15 0.76 1.25 0.86 0.00 0.00 177.93 181.28 1um1 h LEU 33 N 0.09 0.25 1.10 2.43 5.85 -1.74 -3.43 115.31 119.86 1um1 h LEU 33 Ca 0.81 0.19 -0.26 0.00 0.84 0.00 0.00 57.88 59.45 1um1 h LEU 33 Cb 2.65 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 43.78 1um1 h LEU 33 CO -0.34 -0.31 -0.25 0.61 -0.34 0.00 0.00 178.44 177.82 1um1 n GLY 34 N -1.43 1.13 3.69 3.75 0.00 0.28 -4.92 105.19 107.69 1um1 n GLY 34 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.13 3.27 0.45 4.61 0.00 -1.11 -4.70 121.76 122.14 1um1 s ALA 35 Ca 0.00 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.42 1um1 s ALA 35 Cb 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 1um1 s ALA 35 CO 0.00 0.51 1.05 -1.25 0.00 0.00 0.00 175.76 176.06 1um1 s PRO 36 N -2.91 3.96 0.00 0.00 0.04 -1.26 -0.96 135.00 133.87 1um1 s PRO 36 Ca 0.28 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1um1 s PRO 36 Cb -0.10 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1um1 s PRO 36 CO 0.19 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1um1 n GLY 37 N 0.03 2.85 3.91 0.56 0.00 -1.26 -4.81 105.19 106.46 1um1 n GLY 37 Ca 0.07 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 4.10 -0.04 0.99 2.01 -1.26 0.38 118.68 124.86 1um1 s LEU 38 Ca 0.00 0.64 -0.17 0.00 0.01 0.00 0.00 54.13 54.61 1um1 s LEU 38 Cb 0.00 -3.44 0.03 0.00 0.01 0.00 0.00 46.19 42.79 1um1 s LEU 38 CO 0.00 -0.15 0.38 -0.31 1.01 0.00 0.00 176.35 177.28 1um1 s TYR 39 N -2.02 -0.30 0.12 0.29 1.51 -0.65 -2.71 117.35 113.59 1um1 s TYR 39 Ca 0.43 0.53 -0.31 0.00 -1.01 0.00 0.00 57.07 56.71 1um1 s TYR 39 Cb -0.11 0.15 -0.08 0.00 -0.11 0.00 0.00 41.96 41.82 1um1 s TYR 39 CO 0.29 -0.40 1.36 0.42 -1.11 0.00 0.00 175.55 176.12 1um1 s ILE 40 N -1.07 3.36 -0.11 2.71 1.01 0.44 -0.97 121.20 126.57 1um1 s ILE 40 Ca -0.11 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 1um1 s ILE 40 Cb -0.04 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 1um1 s ILE 40 CO 0.05 0.09 -0.11 1.67 0.00 0.00 0.00 174.94 176.64 1um1 n GLN 41 N 3.74 0.26 -4.22 2.79 7.27 0.18 0.11 117.38 127.52 1um1 n GLN 41 Ca 0.10 0.07 -0.15 0.00 0.07 0.00 0.00 57.00 57.10 1um1 n GLN 41 Cb 0.43 -1.15 -0.09 0.00 2.41 0.00 0.00 30.24 31.84 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 -2.22 0.00 -0.34 1.69 -4.23 -1.11 -4.75 115.64 104.69 1um1 s THR 42 Ca -0.15 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1um1 s THR 42 Cb 0.04 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.53 1um1 s THR 42 CO 0.24 0.00 0.28 -0.76 -0.54 0.00 0.00 174.62 173.84 1um1 s LEU 43 N -3.24 0.26 0.56 4.79 1.43 -1.26 -2.44 118.68 118.77 1um1 s LEU 43 Ca 0.39 -1.52 -0.18 0.00 -1.03 0.00 0.00 54.13 51.79 1um1 s LEU 43 Cb 0.05 0.17 -0.14 0.00 0.03 0.00 0.00 46.19 46.30 1um1 s LEU 43 CO 0.19 -0.33 -0.11 -0.11 0.23 0.00 0.00 176.35 176.22 1um1 n LEU 44 N 4.56 -3.34 0.07 1.79 0.00 -1.10 -4.83 117.00 114.16 1um1 n LEU 44 Ca 0.06 0.62 -0.07 0.00 0.00 0.00 0.00 56.01 56.62 1um1 n LEU 44 Cb 0.43 -0.88 -0.04 0.00 0.00 0.00 0.00 43.42 42.93 1um1 n LEU 44 CO 0.08 -4.69 0.20 1.55 0.00 0.00 0.00 177.39 174.52 1um1 h PRO 45 N -0.08 -0.28 -2.09 1.96 0.13 -1.98 -3.33 132.00 126.33 1um1 h PRO 45 Ca -0.42 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.32 1um1 h PRO 45 Cb 1.43 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.50 1um1 h PRO 45 CO 0.41 -0.06 0.39 0.41 -0.23 0.00 0.00 178.00 178.91 1um1 n GLY 46 N 0.92 3.89 3.29 1.56 0.00 -1.26 -4.63 105.19 108.96 1um1 n GLY 46 Ca -0.05 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 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 1.06 2.17 0.15 1.61 1.04 -1.25 -4.89 113.70 113.58 1um1 s SER 47 Ca 0.62 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 1um1 s SER 47 Cb 0.34 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1um1 s SER 47 CO -0.12 -0.22 1.35 1.55 0.98 0.00 0.00 173.24 176.78 1um1 h PRO 48 N 2.87 0.41 -0.96 4.02 0.13 -1.89 -0.83 132.00 135.76 1um1 h PRO 48 Ca -0.38 -0.40 0.07 0.00 -0.87 0.00 0.00 66.00 64.42 1um1 h PRO 48 Cb 1.20 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1um1 h PRO 48 CO 0.60 1.06 0.61 0.00 -0.23 0.00 0.00 178.00 180.03 1um1 h ALA 49 N 0.81 1.33 0.02 -0.56 0.00 -1.86 0.82 119.26 119.83 1um1 h ALA 49 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1um1 h ALA 49 Cb 1.47 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1um1 h ALA 49 CO 0.15 0.37 -0.29 0.00 0.00 0.00 0.00 179.25 179.47 1um1 h ALA 50 N 1.45 0.00 -0.42 0.00 0.00 -1.73 -3.14 119.26 115.41 1um1 h ALA 50 Ca 0.42 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1um1 h ALA 50 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1um1 h ALA 50 CO -0.18 0.12 0.54 0.00 0.00 0.00 0.00 179.25 179.73 1um1 h ALA 51 N 0.17 2.10 0.47 0.00 0.00 -0.66 0.13 119.26 121.46 1um1 h ALA 51 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1um1 h ALA 51 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1um1 h ALA 51 CO 0.06 -0.76 -0.22 0.22 0.00 0.00 0.00 179.25 178.54 1um1 h ASP 52 N 0.00 -0.53 0.00 0.00 3.58 -0.80 -3.48 116.42 115.20 1um1 h ASP 52 Ca 0.20 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1um1 h ASP 52 Cb 1.28 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1um1 h ASP 52 CO -0.00 -0.25 0.00 0.61 -2.88 0.00 0.00 179.24 176.72 1um1 n GLY 53 N -0.86 2.78 0.41 -0.78 0.00 0.45 -4.84 105.19 102.35 1um1 n GLY 53 Ca -0.11 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.16 -6.02 1.61 1.12 -1.86 -3.38 114.38 105.68 1um1 h ARG 54 Ca 0.00 0.01 -0.76 0.00 -1.11 0.00 0.00 59.98 58.12 1um1 h ARG 54 Cb 0.00 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 1um1 h ARG 54 CO 0.00 -0.11 1.18 1.28 -3.11 0.00 0.00 179.97 179.21 1um1 n LEU 55 N -5.37 1.39 -4.58 3.80 4.32 -1.26 -4.91 117.00 110.39 1um1 n LEU 55 Ca 0.02 0.76 -0.26 0.00 -0.02 0.00 0.00 56.01 56.50 1um1 n LEU 55 Cb 0.33 -1.02 -0.09 0.00 -1.62 0.00 0.00 43.42 41.02 1um1 n LEU 55 CO -0.07 -0.72 -0.40 -0.94 -1.22 0.00 0.00 177.39 174.05 1um1 s SER 56 N 5.47 4.31 0.16 -1.43 1.04 -1.26 -4.94 113.70 117.04 1um1 s SER 56 Ca 1.12 -0.59 -0.31 0.00 0.48 0.00 0.00 55.95 56.65 1um1 s SER 56 Cb -1.29 -0.74 -0.10 0.00 0.10 0.00 0.00 66.02 63.99 1um1 s SER 56 CO 0.65 0.09 1.54 -0.76 0.98 0.00 0.00 173.24 175.73 1um1 s LEU 57 N -2.97 4.37 0.00 2.42 1.43 -1.26 -1.85 118.68 120.82 1um1 s LEU 57 Ca 0.26 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1um1 s LEU 57 Cb -0.08 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1um1 s LEU 57 CO 0.16 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1um1 n GLY 58 N 3.67 2.99 3.12 -3.19 0.00 0.30 -4.56 105.19 107.50 1um1 n GLY 58 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.92 -4.11 1.61 9.92 -0.77 -4.08 116.55 114.20 1um1 n ASP 59 Ca 0.00 0.38 -0.31 0.00 -0.53 0.00 0.00 54.79 54.34 1um1 n ASP 59 Cb 0.00 -0.81 -0.17 0.00 -0.64 0.00 0.00 41.12 39.50 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1um1 s ARG 60 N -1.64 2.63 0.53 -1.24 3.52 -1.26 0.17 118.95 121.66 1um1 s ARG 60 Ca 0.48 -0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 1um1 s ARG 60 Cb -0.31 -2.18 -0.07 0.00 -1.56 0.00 0.00 34.95 30.83 1um1 s ARG 60 CO 0.75 -0.05 1.00 0.42 -0.81 0.00 0.00 175.30 176.61 1um1 s ILE 61 N 0.94 4.38 0.00 4.11 -1.09 -1.10 -1.70 121.20 126.74 1um1 s ILE 61 Ca -0.06 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1um1 s ILE 61 Cb -0.15 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1um1 s ILE 61 CO -0.03 -0.65 0.00 0.18 -1.23 0.00 0.00 174.94 173.22 1um1 n LEU 62 N -1.66 0.63 -4.29 2.97 4.77 0.56 -4.59 117.00 115.39 1um1 n LEU 62 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 1um1 n LEU 62 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1um1 n LEU 62 CO 0.46 -0.03 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.48 1um1 s GLU 63 N -1.84 1.18 -0.22 3.23 2.02 -1.14 -1.25 118.70 120.68 1um1 s GLU 63 Ca 0.00 -1.53 -0.04 0.00 0.02 0.00 0.00 54.97 53.43 1um1 s GLU 63 Cb 0.00 -0.78 0.10 0.00 0.10 0.00 0.00 34.13 33.55 1um1 s GLU 63 CO 0.00 0.08 0.21 0.08 0.02 0.00 0.00 175.26 175.65 1um1 s VAL 64 N -3.23 -0.29 -1.48 2.63 1.01 -0.74 -1.55 120.40 116.74 1um1 s VAL 64 Ca 0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 1um1 s VAL 64 Cb 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1um1 s VAL 64 CO 0.04 -0.28 0.80 0.59 0.00 0.00 0.00 175.10 176.25 1um1 n ASN 65 N 5.31 -5.99 -0.81 3.32 3.02 0.50 -0.98 115.26 119.63 1um1 n ASN 65 Ca -0.05 -0.40 -0.07 0.00 -0.03 0.00 0.00 54.58 54.02 1um1 n ASN 65 Cb 0.49 -4.80 -0.00 0.00 -0.61 0.00 0.00 39.78 34.85 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 -1.67 0.11 3.08 7.41 0.00 -1.26 -4.94 105.19 107.92 1um1 n GLY 66 Ca -0.06 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.68 4.69 -0.01 1.61 0.15 -0.16 -5.08 113.70 112.23 1um1 s SER 67 Ca 0.00 -1.65 -0.36 0.00 0.70 0.00 0.00 55.95 54.64 1um1 s SER 67 Cb 0.00 -1.63 -0.14 0.00 -1.71 0.00 0.00 66.02 62.54 1um1 s SER 67 CO 0.00 -0.29 1.63 -0.24 1.20 0.00 0.00 173.24 175.54 1um1 n SER 68 N 4.43 2.70 -2.65 5.45 2.88 -1.26 -1.79 113.62 123.38 1um1 n SER 68 Ca -0.08 1.06 -0.36 0.00 -1.33 0.00 0.00 58.87 58.17 1um1 n SER 68 Cb 0.42 -1.30 0.04 0.00 -0.75 0.00 0.00 64.21 62.62 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1um1 n LEU 69 N 4.43 6.92 -4.18 2.46 -0.00 -0.38 -4.73 117.00 121.52 1um1 n LEU 69 Ca 0.21 -4.77 -0.40 0.00 -0.00 0.00 0.00 56.01 51.05 1um1 n LEU 69 Cb 0.24 -0.89 -0.06 0.00 -0.00 0.00 0.00 43.42 42.70 1um1 n LEU 69 CO 0.69 1.80 0.32 -0.76 -0.00 0.00 0.00 177.39 179.44 1um1 s LEU 70 N -3.90 5.80 0.00 -1.96 1.43 -1.26 -4.40 118.68 114.39 1um1 s LEU 70 Ca 0.54 -3.21 0.00 0.00 -1.03 0.00 0.00 54.13 50.43 1um1 s LEU 70 Cb 0.45 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1um1 s LEU 70 CO -0.25 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1um1 n GLY 71 N 3.09 2.49 3.64 -3.19 0.00 -1.26 -5.06 105.19 104.90 1um1 n GLY 71 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1um1 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 72 N 0.00 3.93 -4.59 0.99 4.77 -1.26 -4.89 117.00 115.96 1um1 n LEU 72 Ca 0.00 0.72 -0.42 0.00 -0.03 0.00 0.00 56.01 56.28 1um1 n LEU 72 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1um1 n LEU 72 CO 0.00 -0.03 0.53 0.61 -1.33 0.00 0.00 177.39 177.17 1um1 n GLY 73 N 4.87 -0.36 0.35 -0.72 0.00 -1.26 -4.48 105.19 103.59 1um1 n GLY 73 Ca 0.23 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.58 1um1 n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1um1 n TYR 74 N -0.28 0.59 0.22 1.61 4.19 -1.26 0.57 117.16 122.80 1um1 n TYR 74 Ca 0.10 1.20 -0.15 0.00 3.31 0.00 0.00 57.90 62.35 1um1 n TYR 74 Cb 0.37 -1.22 -0.08 0.00 0.49 0.00 0.00 39.34 38.90 1um1 n TYR 74 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1um1 h LEU 75 N 0.00 -0.56 -0.60 2.98 3.38 -1.98 0.30 115.31 118.83 1um1 h LEU 75 Ca 0.58 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.71 1um1 h LEU 75 Cb 1.16 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 1um1 h LEU 75 CO -0.95 -0.36 0.01 0.03 0.09 0.00 0.00 178.44 177.27 1um1 h ARG 76 N -0.56 0.12 0.29 1.13 2.47 -0.19 0.77 114.38 118.42 1um1 h ARG 76 Ca -0.04 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1um1 h ARG 76 Cb 0.46 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1um1 h ARG 76 CO 0.04 0.08 -0.14 0.00 0.56 0.00 0.00 179.97 180.51 1um1 h ALA 77 N 1.54 -0.40 -0.85 0.04 0.00 -0.35 0.18 119.26 119.43 1um1 h ALA 77 Ca 0.31 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.25 1um1 h ALA 77 Cb 0.50 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1um1 h ALA 77 CO -0.50 -0.71 0.47 0.28 0.00 0.00 0.00 179.25 178.78 1um1 h VAL 78 N -0.42 0.81 0.03 0.00 2.07 0.90 -0.58 116.25 119.07 1um1 h VAL 78 Ca -0.04 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1um1 h VAL 78 Cb 0.32 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1um1 h VAL 78 CO 0.07 0.13 -0.07 -0.78 0.02 0.00 0.00 177.57 176.94 1um1 h ASP 79 N 0.71 -0.18 -0.38 0.57 3.58 0.10 0.62 116.42 121.45 1um1 h ASP 79 Ca 0.44 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.97 1um1 h ASP 79 Cb 0.54 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.58 1um1 h ASP 79 CO -0.31 -0.10 -0.54 -0.07 -2.88 0.00 0.00 179.24 175.34 1um1 h LEU 80 N -0.13 -1.79 -0.71 2.28 3.38 0.58 1.38 115.31 120.30 1um1 h LEU 80 Ca 0.02 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1um1 h LEU 80 Cb 0.15 0.74 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1um1 h LEU 80 CO -0.04 -0.41 0.46 0.40 0.09 0.00 0.00 178.44 178.93 1um1 h ILE 81 N -0.41 1.13 0.26 1.22 5.03 -1.11 0.62 117.51 124.26 1um1 h ILE 81 Ca 0.08 -0.31 0.01 0.00 -0.12 0.00 0.00 64.86 64.51 1um1 h ILE 81 Cb 0.61 0.15 -0.03 0.00 -3.03 0.00 0.00 36.82 34.51 1um1 h ILE 81 CO -0.58 0.17 -0.36 0.03 -0.68 0.00 0.00 178.15 176.72 1um1 h ARG 82 N 0.91 -0.66 -1.25 2.37 3.08 0.28 -1.37 114.38 117.74 1um1 h ARG 82 Ca 0.27 0.04 -0.35 0.00 0.07 0.00 0.00 59.98 60.02 1um1 h ARG 82 Cb -0.03 0.15 -0.17 0.00 0.08 0.00 0.00 29.97 30.00 1um1 h ARG 82 CO -0.09 -0.44 0.45 0.72 -1.07 0.00 0.00 179.97 179.54 1um1 n HIS 83 N -5.46 1.80 0.00 3.04 8.25 0.45 -4.89 115.22 118.42 1um1 n HIS 83 Ca -0.09 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.59 1um1 n HIS 83 Cb 0.36 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.59 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 -0.11 -3.01 3.57 -1.41 0.00 0.18 -4.93 105.19 99.49 1um1 n GLY 84 Ca 0.35 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 1.18 0.40 -0.02 0.00 -1.26 -5.02 107.32 102.61 1um1 s GLY 85 Ca 0.00 -1.31 0.18 0.00 0.00 0.00 0.00 44.72 43.59 1um1 s GLY 85 CO 0.00 -0.82 1.79 1.70 0.00 0.00 0.00 173.10 175.78 1um1 h LYS 86 N 2.09 0.40 -4.77 2.90 1.63 -1.94 -3.32 116.57 113.56 1um1 h LYS 86 Ca -0.29 -0.02 -0.68 0.00 -0.85 0.00 0.00 60.65 58.80 1um1 h LYS 86 Cb 1.24 -0.09 -0.31 0.00 -0.60 0.00 0.00 32.23 32.47 1um1 h LYS 86 CO 0.39 0.27 -0.67 0.15 -3.45 0.00 0.00 179.45 176.13 1um1 s LYS 87 N -5.48 2.60 -0.24 1.90 1.02 -1.26 -2.36 119.74 115.92 1um1 s LYS 87 Ca -0.09 -1.16 -0.09 0.00 0.02 0.00 0.00 55.97 54.66 1um1 s LYS 87 Cb 0.24 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1um1 s LYS 87 CO 0.79 -0.58 0.11 -1.64 -0.92 0.00 0.00 175.35 173.11 1um1 s MET 88 N 1.33 3.84 -0.07 1.68 -1.94 0.69 -4.94 119.30 119.89 1um1 s MET 88 Ca -0.03 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.58 1um1 s MET 88 Cb -0.19 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1um1 s MET 88 CO -0.00 -0.07 -0.09 1.03 -0.01 0.00 0.00 175.02 175.88 1um1 s ARG 89 N 1.35 2.80 -0.01 2.03 0.52 -1.26 -1.00 118.95 123.38 1um1 s ARG 89 Ca 0.06 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 1um1 s ARG 89 Cb -0.15 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.77 1um1 s ARG 89 CO 0.05 0.59 -0.00 -0.06 0.02 0.00 0.00 175.30 175.89 1um1 s PHE 90 N -0.61 0.10 -0.63 -0.53 0.08 -0.48 0.19 117.98 116.11 1um1 s PHE 90 Ca 0.09 0.00 -0.06 0.00 0.12 0.00 0.00 56.93 57.08 1um1 s PHE 90 Cb -0.11 -0.11 0.16 0.00 -0.57 0.00 0.00 43.02 42.39 1um1 s PHE 90 CO 0.02 -0.02 0.48 -1.17 -0.10 0.00 0.00 175.22 174.42 1um1 s LEU 91 N 0.21 5.63 0.17 -0.37 2.96 -0.60 -0.52 118.68 126.17 1um1 s LEU 91 Ca -0.02 -2.63 0.04 0.00 -0.22 0.00 0.00 54.13 51.31 1um1 s LEU 91 Cb -0.03 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1um1 s LEU 91 CO -0.01 -0.47 0.20 0.54 -1.32 0.00 0.00 176.35 175.30 1um1 s VAL 92 N 0.27 4.80 -0.08 1.68 0.11 -1.09 0.21 120.40 126.30 1um1 s VAL 92 Ca 0.15 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1um1 s VAL 92 Cb -0.19 -3.48 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1um1 s VAL 92 CO -0.04 -0.14 -0.11 0.00 -3.33 0.00 0.00 175.10 171.47 1um1 s ALA 93 N -1.80 2.76 -0.65 1.54 0.00 -0.69 -1.67 121.76 121.24 1um1 s ALA 93 Ca 0.32 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 1um1 s ALA 93 Cb -0.10 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1um1 s ALA 93 CO 0.25 0.47 2.05 0.15 0.00 0.00 0.00 175.76 178.69 1um1 s LYS 94 N -0.44 2.39 0.76 0.00 -0.14 -1.17 -4.01 119.74 117.13 1um1 s LYS 94 Ca 0.06 0.61 -0.06 0.00 -1.36 0.00 0.00 55.97 55.22 1um1 s LYS 94 Cb -0.12 -4.60 0.11 0.00 -1.68 0.00 0.00 37.83 31.54 1um1 s LYS 94 CO 0.02 -3.14 1.06 -1.12 -0.76 0.00 0.00 175.35 171.41 1um1 s SER 95 N 9.30 4.32 0.84 2.83 0.01 -1.26 -4.78 113.70 124.95 1um1 s SER 95 Ca 0.77 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 58.08 1um1 s SER 95 Cb -0.13 -0.56 0.17 0.00 0.21 0.00 0.00 66.02 65.72 1um1 s SER 95 CO 0.17 -1.90 1.15 -1.81 0.41 0.00 0.00 173.24 171.25 1um1 s ASP 96 N -4.66 3.70 -0.04 2.44 1.11 -1.26 -5.01 116.67 112.95 1um1 s ASP 96 Ca 0.65 -0.23 -0.25 0.00 0.18 0.00 0.00 52.55 52.90 1um1 s ASP 96 Cb -0.07 0.07 -0.19 0.00 1.07 0.00 0.00 42.92 43.79 1um1 s ASP 96 CO 0.46 -2.32 1.11 0.58 1.18 0.00 0.00 175.17 176.18 1um1 h VAL 97 N -1.03 1.20 -0.92 -1.27 2.07 -1.99 -3.18 116.25 111.13 1um1 h VAL 97 Ca -0.38 -1.18 0.26 0.00 0.82 0.00 0.00 66.70 66.22 1um1 h VAL 97 Cb 1.24 1.93 -0.16 0.00 -1.52 0.00 0.00 31.29 32.79 1um1 h VAL 97 CO 0.36 0.28 0.20 -0.33 0.02 0.00 0.00 177.57 178.10 1um1 h GLU 98 N -0.66 0.12 -0.75 1.57 4.39 -1.99 0.90 114.58 118.16 1um1 h GLU 98 Ca -0.01 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.82 1um1 h GLU 98 Cb 0.54 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 1um1 h GLU 98 CO 0.02 0.08 0.31 1.15 -1.16 0.00 0.00 179.01 179.41 1um1 h THR 99 N 0.13 0.68 -0.28 1.13 2.02 -1.94 -0.18 112.91 114.47 1um1 h THR 99 Ca 0.59 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.51 1um1 h THR 99 Cb 1.24 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1um1 h THR 99 CO -0.74 0.08 -0.23 0.00 0.37 0.00 0.00 175.52 175.01 1um1 h ALA 100 N 1.53 0.40 -0.78 6.16 0.00 0.67 -3.03 119.26 124.22 1um1 h ALA 100 Ca 0.41 -0.37 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1um1 h ALA 100 Cb 0.60 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.16 1um1 h ALA 100 CO -0.39 0.36 -0.28 0.87 0.00 0.00 0.00 179.25 179.81 1um1 h LYS 101 N 0.37 -0.05 -0.88 0.00 1.57 0.88 1.63 116.57 120.09 1um1 h LYS 101 Ca 0.05 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1um1 h LYS 101 Cb 0.78 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 1um1 h LYS 101 CO 0.06 -0.03 0.57 0.87 -0.57 0.00 0.00 179.45 180.35 1um1 h LYS 102 N -0.05 0.94 -0.46 3.15 1.57 -1.27 0.11 116.57 120.55 1um1 h LYS 102 Ca 0.33 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1um1 h LYS 102 Cb 0.58 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1um1 h LYS 102 CO -0.81 0.62 -0.18 0.82 -0.57 0.00 0.00 179.45 179.33 1um1 h ILE 103 N 0.96 1.27 -3.18 1.86 1.08 0.20 -2.87 117.51 116.84 1um1 h ILE 103 Ca 0.39 -1.32 -0.60 0.00 -0.39 0.00 0.00 64.86 62.93 1um1 h ILE 103 Cb 0.26 1.16 -0.40 0.00 -3.07 0.00 0.00 36.82 34.77 1um1 h ILE 103 CO -0.15 0.45 -0.75 -1.38 -0.69 0.00 0.00 178.15 175.64 1um1 s HIS 104 N -4.70 2.07 -0.27 1.37 -3.43 0.35 -4.83 115.29 105.83 1um1 s HIS 104 Ca -0.12 -2.12 -0.02 0.00 -0.80 0.00 0.00 55.06 52.01 1um1 s HIS 104 Cb 0.12 -1.93 0.01 0.00 -1.43 0.00 0.00 32.58 29.34 1um1 s HIS 104 CO 0.85 -0.86 0.04 0.43 -2.00 0.00 0.00 174.74 173.20 1um1 n SER 105 N 4.37 -6.91 -2.07 7.38 7.64 -0.65 -4.39 113.62 118.99 1um1 n SER 105 Ca 0.02 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1um1 n SER 105 Cb 0.40 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 1um1 n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 106 N 0.90 -0.83 3.78 0.23 0.00 0.22 -4.34 105.19 105.15 1um1 n GLY 106 Ca -0.06 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.59 0.86 0.09 1.61 0.04 -1.26 -4.80 135.00 128.94 1um1 s PRO 107 Ca 0.00 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1um1 s PRO 107 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1um1 s PRO 107 CO 0.00 -2.37 0.00 0.43 0.04 0.00 0.00 177.00 175.10 1um1 n SER 108 N -3.86 -9.44 -4.67 6.66 7.64 -1.26 -4.73 113.62 103.96 1um1 n SER 108 Ca 0.08 1.73 -0.50 0.00 1.01 0.00 0.00 58.87 61.19 1um1 n SER 108 Cb 0.59 -5.23 -0.05 0.00 -1.01 0.00 0.00 64.21 58.51 1um1 n SER 108 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1um1 n SER 109 N 1.91 3.20 0.00 6.43 2.88 -1.26 -5.19 113.62 121.58 1um1 n SER 109 Ca 0.00 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1um1 n SER 109 Cb 0.00 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1um1 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42