#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 s SER 2 N 0.00 -0.50 0.06 1.61 0.15 -1.26 -5.05 113.70 108.72 1um1 s SER 2 Ca 0.00 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1um1 s SER 2 Cb 0.00 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.78 1um1 s SER 2 CO 0.00 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.11 1um1 n SER 3 N 5.23 -0.58 0.00 5.45 2.88 -1.26 -5.17 113.62 120.17 1um1 n SER 3 Ca -0.07 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1um1 n SER 3 Cb 0.53 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.92 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 -1.11 -0.36 1.38 0.46 0.00 -1.26 -5.01 105.19 99.29 1um1 n GLY 4 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1um1 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1um1 n SER 5 N -0.88 0.41 -4.92 1.61 2.88 -1.26 -5.10 113.62 106.36 1um1 n SER 5 Ca 0.00 0.17 -0.26 0.00 -1.33 0.00 0.00 58.87 57.45 1um1 n SER 5 Cb 0.00 -0.04 0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1um1 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1um1 s SER 6 N -5.28 5.85 0.00 -3.46 0.15 -1.26 -5.07 113.70 104.63 1um1 s SER 6 Ca 0.00 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1um1 s SER 6 Cb 0.00 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1um1 s SER 6 CO 0.00 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1um1 n GLY 7 N -2.36 -0.31 3.79 9.45 0.00 -1.26 -5.10 105.19 109.40 1um1 n GLY 7 Ca 0.02 0.77 -0.32 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 3.25 0.35 1.61 1.13 -1.26 -4.90 117.35 117.54 1um1 s TYR 8 Ca 0.00 0.15 -0.01 0.00 -1.41 0.00 0.00 57.07 55.80 1um1 s TYR 8 Cb 0.00 -1.68 -0.04 0.00 -1.10 0.00 0.00 41.96 39.14 1um1 s TYR 8 CO 0.00 0.54 0.58 0.08 -2.51 0.00 0.00 175.55 174.24 1um1 s VAL 9 N -1.30 5.07 -0.16 -3.49 1.01 -1.26 -2.34 120.40 117.92 1um1 s VAL 9 Ca 0.27 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1um1 s VAL 9 Cb -0.12 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.46 1um1 s VAL 9 CO 0.19 -0.56 0.41 0.72 0.00 0.00 0.00 175.10 175.86 1um1 s PHE 10 N -2.34 -0.47 0.46 5.22 -0.71 0.13 -4.95 117.98 115.32 1um1 s PHE 10 Ca 0.42 1.12 -0.09 0.00 -1.04 0.00 0.00 56.93 57.34 1um1 s PHE 10 Cb -0.10 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 1um1 s PHE 10 CO 0.36 -0.23 0.81 0.99 -1.34 0.00 0.00 175.22 175.82 1um1 s THR 11 N 0.31 4.81 -0.16 -4.49 2.01 -1.26 -0.90 115.64 115.96 1um1 s THR 11 Ca -0.01 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 1um1 s THR 11 Cb -0.03 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.74 1um1 s THR 11 CO -0.00 -0.71 0.05 -0.69 -0.69 0.00 0.00 174.62 172.58 1um1 s VAL 12 N -2.60 0.25 -0.50 3.82 1.01 0.54 -4.89 120.40 118.04 1um1 s VAL 12 Ca 0.51 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1um1 s VAL 12 Cb -0.10 -0.75 0.09 0.00 0.00 0.00 0.00 36.38 35.61 1um1 s VAL 12 CO 0.38 -0.15 0.44 -1.61 0.00 0.00 0.00 175.10 174.17 1um1 s GLU 13 N 1.99 2.99 0.14 2.72 2.02 -1.26 -1.50 118.70 125.81 1um1 s GLU 13 Ca 0.01 -1.45 0.05 0.00 0.02 0.00 0.00 54.97 53.61 1um1 s GLU 13 Cb -0.16 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.85 1um1 s GLU 13 CO -0.08 -1.14 0.06 -0.51 0.02 0.00 0.00 175.26 173.61 1um1 s LEU 14 N 1.69 3.59 -0.31 1.80 2.01 0.34 -4.93 118.68 122.86 1um1 s LEU 14 Ca 0.04 -0.21 -0.09 0.00 0.01 0.00 0.00 54.13 53.89 1um1 s LEU 14 Cb -0.26 -2.24 0.00 0.00 0.01 0.00 0.00 46.19 43.71 1um1 s LEU 14 CO 0.06 0.11 0.13 -1.61 1.01 0.00 0.00 176.35 176.05 1um1 s GLU 15 N -2.83 3.16 -0.80 1.70 2.02 -1.26 -0.28 118.70 120.41 1um1 s GLU 15 Ca 0.29 -0.83 -0.34 0.00 0.02 0.00 0.00 54.97 54.11 1um1 s GLU 15 Cb -0.10 -3.52 -0.19 0.00 0.10 0.00 0.00 34.13 30.42 1um1 s GLU 15 CO 0.21 -0.47 2.51 -2.13 0.02 0.00 0.00 175.26 175.39 1um1 n ARG 16 N 4.94 0.15 -0.11 1.61 0.63 -1.17 -4.66 116.66 118.04 1um1 n ARG 16 Ca -0.14 0.02 -0.02 0.00 -0.92 0.00 0.00 57.85 56.79 1um1 n ARG 16 Cb 0.48 -1.71 0.02 0.00 0.45 0.00 0.00 32.46 31.70 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 6.72 -1.71 0.03 5.14 0.00 -1.26 -4.83 105.19 109.27 1um1 n GLY 17 Ca 0.59 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.43 0.05 0.00 1.61 -0.04 -1.26 -2.28 135.00 131.65 1um1 n PRO 18 Ca 0.01 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 1um1 n PRO 18 Cb 0.04 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.67 1.20 -0.69 3.54 7.64 -1.26 -4.99 113.62 117.38 1um1 n SER 19 Ca 0.05 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1um1 n SER 19 Cb 0.27 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 1.21 0.59 6.96 0.23 0.00 -0.97 -4.91 105.19 108.31 1um1 n GLY 20 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 0.00 -2.75 0.99 4.77 -1.26 -4.81 117.00 113.24 1um1 n LEU 21 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1um1 n LEU 21 Cb 0.40 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1um1 n LEU 21 CO 0.00 0.00 0.24 0.61 -1.33 0.00 0.00 177.39 176.91 1um1 n GLY 22 N 0.00 0.29 2.60 -0.72 0.00 -1.26 -4.74 105.19 101.36 1um1 n GLY 22 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 0.50 0.12 -0.98 1.61 1.00 -1.26 -2.10 119.30 118.18 1um1 s MET 23 Ca 0.28 -0.22 -0.19 0.00 0.00 0.00 0.00 55.69 55.57 1um1 s MET 23 Cb 0.25 -1.53 0.12 0.00 0.00 0.00 0.00 34.83 33.67 1um1 s MET 23 CO -0.17 -0.80 1.23 0.20 0.00 0.00 0.00 175.02 175.48 1um1 s GLY 24 N 2.15 1.86 0.31 -0.03 0.00 -0.63 -4.95 107.32 106.03 1um1 s GLY 24 Ca 0.05 -2.75 -0.27 0.00 0.00 0.00 0.00 44.72 41.75 1um1 s GLY 24 CO -0.19 2.15 0.96 1.08 0.00 0.00 0.00 173.10 177.09 1um1 s LEU 25 N 3.00 4.39 0.06 0.66 2.01 -1.26 0.19 118.68 127.73 1um1 s LEU 25 Ca 0.37 1.89 0.03 0.00 0.01 0.00 0.00 54.13 56.42 1um1 s LEU 25 Cb -0.04 -3.94 -0.03 0.00 0.01 0.00 0.00 46.19 42.20 1um1 s LEU 25 CO -0.08 -0.06 -0.09 -0.51 1.01 0.00 0.00 176.35 176.62 1um1 s ILE 26 N -1.52 0.70 -0.11 -0.59 2.07 0.16 -4.81 121.20 117.09 1um1 s ILE 26 Ca 0.49 -1.32 -0.30 0.00 -1.41 0.00 0.00 60.65 58.11 1um1 s ILE 26 Cb -0.21 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.40 1um1 s ILE 26 CO 0.26 -0.46 1.38 -0.62 -1.91 0.00 0.00 174.94 173.60 1um1 s ASP 27 N -1.95 6.86 0.30 4.50 2.15 -1.26 -0.17 116.67 127.10 1um1 s ASP 27 Ca -0.03 1.91 0.02 0.00 0.43 0.00 0.00 52.55 54.87 1um1 s ASP 27 Cb -0.07 -2.54 0.74 0.00 -0.30 0.00 0.00 42.92 40.76 1um1 s ASP 27 CO -0.00 -0.79 1.59 1.23 -0.17 0.00 0.00 175.17 177.03 1um1 h GLY 28 N 9.58 1.28 0.39 2.66 0.00 0.20 1.05 103.07 118.23 1um1 h GLY 28 Ca -0.32 0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.24 1um1 h GLY 28 CO 0.95 -0.48 0.57 -0.33 0.00 0.00 0.00 176.54 177.26 1um1 h MET 29 N 0.06 0.84 -0.79 4.80 2.86 -0.84 0.24 114.93 122.10 1um1 h MET 29 Ca 0.58 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 1um1 h MET 29 Cb 1.21 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 1um1 h MET 29 CO -0.83 0.56 0.51 0.45 1.06 0.00 0.00 176.91 178.66 1um1 h HIS 30 N 0.87 1.02 -4.19 -0.22 3.86 0.84 -3.37 115.15 113.95 1um1 h HIS 30 Ca 0.49 0.01 -0.47 0.00 -1.16 0.00 0.00 60.37 59.24 1um1 h HIS 30 Cb 0.56 -0.34 0.02 0.00 1.06 0.00 0.00 27.41 28.70 1um1 h HIS 30 CO -0.03 0.66 0.37 0.95 0.86 0.00 0.00 177.93 180.74 1um1 s THR 31 N -6.07 4.52 0.58 2.45 -4.23 0.03 -4.88 115.64 108.03 1um1 s THR 31 Ca -0.13 1.22 0.38 0.00 -1.18 0.00 0.00 61.69 61.98 1um1 s THR 31 Cb 0.15 -3.71 0.56 0.00 1.34 0.00 0.00 72.50 70.84 1um1 s THR 31 CO 0.79 -0.67 1.56 0.45 -0.54 0.00 0.00 174.62 176.20 1um1 h HIS 32 N 0.94 0.00 -1.00 3.99 3.86 -1.68 0.23 115.15 121.50 1um1 h HIS 32 Ca -0.47 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 58.94 1um1 h HIS 32 Cb 1.18 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.47 1um1 h HIS 32 CO 0.64 0.00 -0.25 -0.11 0.86 0.00 0.00 177.93 179.06 1um1 n LEU 33 N -3.73 -0.37 -0.07 2.43 7.94 -1.26 -4.74 117.00 117.22 1um1 n LEU 33 Ca 0.31 1.71 -0.01 0.00 -1.11 0.00 0.00 56.01 56.91 1um1 n LEU 33 Cb 1.60 -0.52 -0.00 0.00 0.53 0.00 0.00 43.42 45.03 1um1 n LEU 33 CO 0.35 -1.64 -0.01 0.61 -1.11 0.00 0.00 177.39 175.59 1um1 n GLY 34 N -1.62 0.31 3.85 -3.96 0.00 0.80 -4.96 105.19 99.61 1um1 n GLY 34 Ca 0.16 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.54 3.72 0.53 4.61 0.00 -1.25 -4.67 121.76 123.15 1um1 s ALA 35 Ca 0.00 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1um1 s ALA 35 Cb 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 1um1 s ALA 35 CO 0.00 0.52 1.04 -1.25 0.00 0.00 0.00 175.76 176.07 1um1 s PRO 36 N -3.16 3.64 0.00 0.00 0.04 -1.26 -0.26 135.00 134.00 1um1 s PRO 36 Ca 0.32 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1um1 s PRO 36 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1um1 s PRO 36 CO 0.25 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1um1 n GLY 37 N -0.61 2.45 3.93 0.56 0.00 -1.26 -4.79 105.19 105.46 1um1 n GLY 37 Ca 0.09 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 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 4.26 0.00 0.99 1.43 -1.26 0.19 118.68 124.30 1um1 s LEU 38 Ca 0.00 0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1um1 s LEU 38 Cb 0.00 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1um1 s LEU 38 CO 0.00 0.04 0.28 -0.31 0.23 0.00 0.00 176.35 176.59 1um1 s TYR 39 N -1.76 -0.12 -0.10 0.29 1.51 0.76 -3.07 117.35 114.84 1um1 s TYR 39 Ca 0.34 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 56.23 1um1 s TYR 39 Cb -0.11 0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.76 1um1 s TYR 39 CO 0.28 -0.40 1.73 0.42 -1.11 0.00 0.00 175.55 176.47 1um1 s ILE 40 N -1.64 3.49 -0.21 2.71 1.01 -0.83 0.35 121.20 126.09 1um1 s ILE 40 Ca -0.12 0.58 0.13 0.00 0.00 0.00 0.00 60.65 61.24 1um1 s ILE 40 Cb -0.04 -3.43 -0.23 0.00 0.01 0.00 0.00 42.46 38.76 1um1 s ILE 40 CO 0.02 -0.12 0.02 1.67 0.00 0.00 0.00 174.94 176.53 1um1 n GLN 41 N 7.48 0.68 -4.09 2.79 7.27 0.50 0.19 117.38 132.20 1um1 n GLN 41 Ca 0.19 0.05 -0.10 0.00 0.07 0.00 0.00 57.00 57.20 1um1 n GLN 41 Cb 0.43 -1.53 -0.08 0.00 2.41 0.00 0.00 30.24 31.47 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 -2.50 0.04 -0.23 1.69 -4.23 -0.92 -4.84 115.64 104.64 1um1 s THR 42 Ca -0.16 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1um1 s THR 42 Cb 0.07 -2.19 0.10 0.00 1.34 0.00 0.00 72.50 71.82 1um1 s THR 42 CO 0.77 -0.17 0.23 -0.76 -0.54 0.00 0.00 174.62 174.15 1um1 s LEU 43 N -3.06 -0.06 0.70 4.79 1.43 -1.26 -1.60 118.68 119.61 1um1 s LEU 43 Ca 0.28 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1um1 s LEU 43 Cb 0.05 0.32 -0.00 0.00 0.03 0.00 0.00 46.19 46.58 1um1 s LEU 43 CO 0.06 -0.36 1.03 -0.11 0.23 0.00 0.00 176.35 177.21 1um1 n LEU 44 N 5.31 3.98 0.00 1.79 7.94 -0.89 -4.92 117.00 130.21 1um1 n LEU 44 Ca -0.05 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 1um1 n LEU 44 Cb 0.48 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1um1 n LEU 44 CO 0.06 -1.84 0.09 -0.81 -1.11 0.00 0.00 177.39 173.78 1um1 n PRO 45 N -1.82 0.00 -0.63 1.96 -0.04 -1.26 -4.12 135.00 129.10 1um1 n PRO 45 Ca 0.14 0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 63.66 1um1 n PRO 45 Cb 0.49 -0.86 -0.03 0.00 -0.04 0.00 0.00 33.50 33.06 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 1.52 2.76 3.37 0.55 0.00 -1.26 -4.51 105.19 107.61 1um1 n GLY 46 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 3.32 1.75 0.09 1.61 1.04 -1.26 -4.90 113.70 115.35 1um1 s SER 47 Ca 0.35 -1.34 -0.13 0.00 0.48 0.00 0.00 55.95 55.31 1um1 s SER 47 Cb 0.11 0.04 -0.19 0.00 0.10 0.00 0.00 66.02 66.07 1um1 s SER 47 CO -0.02 -0.64 1.24 1.55 0.98 0.00 0.00 173.24 176.35 1um1 h PRO 48 N 2.31 0.72 0.54 4.02 0.13 -1.85 -2.31 132.00 135.57 1um1 h PRO 48 Ca -0.39 -0.70 -0.02 0.00 -0.87 0.00 0.00 66.00 64.02 1um1 h PRO 48 Cb 1.24 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1um1 h PRO 48 CO 0.65 1.29 -0.45 0.00 -0.23 0.00 0.00 178.00 179.25 1um1 h ALA 49 N 0.48 -1.16 -0.86 -0.56 0.00 -1.91 -0.87 119.26 114.39 1um1 h ALA 49 Ca -0.10 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1um1 h ALA 49 Cb 1.59 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 19.95 1um1 h ALA 49 CO 0.19 -1.16 0.48 0.00 0.00 0.00 0.00 179.25 178.75 1um1 h ALA 50 N -1.08 1.27 -0.62 0.00 0.00 -1.72 -0.07 119.26 117.04 1um1 h ALA 50 Ca -0.07 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1um1 h ALA 50 Cb 0.82 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1um1 h ALA 50 CO -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.25 1um1 h ALA 51 N 1.51 0.59 -0.04 0.00 0.00 -0.80 0.04 119.26 120.56 1um1 h ALA 51 Ca 0.44 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.58 1um1 h ALA 51 Cb 0.51 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1um1 h ALA 51 CO -0.30 -0.40 -0.23 0.22 0.00 0.00 0.00 179.25 178.54 1um1 h ASP 52 N 0.10 -0.69 0.00 0.00 3.58 0.39 -3.46 116.42 116.33 1um1 h ASP 52 Ca 0.32 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1um1 h ASP 52 Cb 0.52 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1um1 h ASP 52 CO -0.55 -0.29 0.00 0.61 -2.88 0.00 0.00 179.24 176.13 1um1 n GLY 53 N -1.36 2.88 0.37 -0.78 0.00 -0.00 -4.86 105.19 101.44 1um1 n GLY 53 Ca -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1um1 n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1um1 n ARG 54 N 0.00 -0.28 -1.74 1.61 0.00 -1.26 -4.39 116.66 110.59 1um1 n ARG 54 Ca 0.00 1.45 -0.68 0.00 -0.00 0.00 0.00 57.85 58.62 1um1 n ARG 54 Cb 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 32.46 30.22 1um1 n ARG 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1um1 n LEU 55 N -5.33 1.25 -4.36 6.15 4.32 -1.26 -4.92 117.00 112.85 1um1 n LEU 55 Ca 0.07 1.18 -0.20 0.00 -0.02 0.00 0.00 56.01 57.04 1um1 n LEU 55 Cb 0.34 -0.89 -0.10 0.00 -1.62 0.00 0.00 43.42 41.15 1um1 n LEU 55 CO -0.14 -0.82 -0.46 -0.94 -1.22 0.00 0.00 177.39 173.81 1um1 s SER 56 N 3.05 2.75 -0.02 -1.43 1.04 -1.26 -4.93 113.70 112.90 1um1 s SER 56 Ca 1.05 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 1um1 s SER 56 Cb -1.48 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 1um1 s SER 56 CO 0.81 -0.10 1.32 -0.76 0.98 0.00 0.00 173.24 175.50 1um1 s LEU 57 N -3.15 4.30 0.00 2.42 1.43 -1.26 -2.47 118.68 119.95 1um1 s LEU 57 Ca 0.21 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1um1 s LEU 57 Cb -0.03 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1um1 s LEU 57 CO 0.08 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1um1 n GLY 58 N 3.54 0.65 3.28 -3.19 0.00 0.51 -4.76 105.19 105.22 1um1 n GLY 58 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.01 -3.71 1.61 8.00 -1.03 -4.59 116.55 113.81 1um1 n ASP 59 Ca 0.00 -0.49 -0.18 0.00 0.71 0.00 0.00 54.79 54.84 1um1 n ASP 59 Cb 0.00 -1.05 -0.17 0.00 -0.02 0.00 0.00 41.12 39.88 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 -4.40 -0.05 0.02 -1.24 3.52 -1.26 -1.96 118.95 113.58 1um1 s ARG 60 Ca 0.62 0.33 -0.25 0.00 -0.13 0.00 0.00 55.73 56.30 1um1 s ARG 60 Cb -0.16 -0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 32.80 1um1 s ARG 60 CO 0.58 -0.26 0.76 0.42 -0.81 0.00 0.00 175.30 175.99 1um1 s ILE 61 N 1.74 4.80 -0.10 4.11 -1.09 -1.17 -2.47 121.20 127.02 1um1 s ILE 61 Ca -0.01 1.61 0.06 0.00 -2.23 0.00 0.00 60.65 60.08 1um1 s ILE 61 Cb -0.12 -4.11 -0.10 0.00 -1.58 0.00 0.00 42.46 36.55 1um1 s ILE 61 CO -0.03 0.33 -0.00 0.18 -1.23 0.00 0.00 174.94 174.19 1um1 n LEU 62 N 3.03 0.79 -3.78 2.97 4.77 0.17 -4.69 117.00 120.26 1um1 n LEU 62 Ca -0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1um1 n LEU 62 Cb 0.50 0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1um1 n LEU 62 CO 0.47 0.35 -0.03 -1.61 -1.33 0.00 0.00 177.39 175.24 1um1 s GLU 63 N -2.22 0.57 -0.20 3.23 2.02 -1.24 -2.00 118.70 118.86 1um1 s GLU 63 Ca -0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 1um1 s GLU 63 Cb 0.03 0.25 0.06 0.00 0.10 0.00 0.00 34.13 34.57 1um1 s GLU 63 CO 0.34 -0.14 -0.01 0.08 0.02 0.00 0.00 175.26 175.55 1um1 s VAL 64 N -1.04 0.91 -0.36 2.63 1.01 -0.99 -0.10 120.40 122.47 1um1 s VAL 64 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1um1 s VAL 64 Cb -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1um1 s VAL 64 CO 0.03 -0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.61 1um1 n ASN 65 N 4.91 -5.19 0.00 3.32 3.02 0.37 -1.33 115.26 120.36 1um1 n ASN 65 Ca -0.10 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1um1 n ASN 65 Cb 0.46 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 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 -0.20 1.64 3.07 7.41 0.00 -1.26 -4.94 105.19 110.91 1um1 n GLY 66 Ca -0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1um1 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um1 s SER 67 N -2.22 4.55 -0.34 1.61 0.01 -0.44 -5.06 113.70 111.81 1um1 s SER 67 Ca 0.00 -1.53 -0.38 0.00 1.31 0.00 0.00 55.95 55.36 1um1 s SER 67 Cb 0.00 -1.58 -0.13 0.00 0.21 0.00 0.00 66.02 64.51 1um1 s SER 67 CO 0.00 -0.23 2.07 -1.54 0.41 0.00 0.00 173.24 173.94 1um1 n SER 68 N 4.42 2.05 -2.79 2.44 3.41 -1.26 -2.34 113.62 119.55 1um1 n SER 68 Ca -0.11 0.63 -0.32 0.00 -0.26 0.00 0.00 58.87 58.81 1um1 n SER 68 Cb 0.42 -1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 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 8.36 6.96 -4.75 1.04 0.00 -0.85 -4.87 117.00 122.90 1um1 n LEU 69 Ca 0.39 -4.41 -0.35 0.00 0.00 0.00 0.00 56.01 51.64 1um1 n LEU 69 Cb 0.17 -1.22 -0.08 0.00 0.00 0.00 0.00 43.42 42.29 1um1 n LEU 69 CO 0.79 1.81 -0.19 -0.76 0.00 0.00 0.00 177.39 179.04 1um1 s LEU 70 N -2.62 4.18 -0.90 -1.96 1.43 -1.26 -4.29 118.68 113.27 1um1 s LEU 70 Ca 0.56 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1um1 s LEU 70 Cb 0.35 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1um1 s LEU 70 CO -0.23 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1um1 n GLY 71 N 3.18 0.45 3.69 -3.19 0.00 -1.26 -4.87 105.19 103.18 1um1 n GLY 71 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.86 4.22 0.33 0.99 1.43 -1.26 -5.01 118.68 115.52 1um1 s LEU 72 Ca 0.00 1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 53.93 1um1 s LEU 72 Cb 0.00 -3.11 -0.12 0.00 0.03 0.00 0.00 46.19 42.99 1um1 s LEU 72 CO 0.00 -0.26 1.29 0.61 0.23 0.00 0.00 176.35 178.22 1um1 n GLY 73 N 3.39 0.58 0.32 -3.19 0.00 -1.26 -4.63 105.19 100.41 1um1 n GLY 73 Ca 0.01 0.34 0.29 0.00 0.00 0.00 0.00 46.02 46.66 1um1 n GLY 73 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1um1 h TYR 74 N 2.72 0.72 0.57 1.61 5.03 -1.99 0.57 116.97 126.20 1um1 h TYR 74 Ca -0.46 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 60.87 1um1 h TYR 74 Cb 1.28 -0.14 0.01 0.00 1.55 0.00 0.00 36.73 39.43 1um1 h TYR 74 CO 0.51 -0.45 -0.27 -0.07 -1.32 0.00 0.00 178.16 176.56 1um1 h LEU 75 N 0.03 -0.65 -0.71 2.82 3.38 -1.98 -0.24 115.31 117.96 1um1 h LEU 75 Ca 0.81 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.91 1um1 h LEU 75 Cb 2.06 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 42.86 1um1 h LEU 75 CO -0.78 -0.37 0.04 0.03 0.09 0.00 0.00 178.44 177.46 1um1 h ARG 76 N -0.90 0.13 -0.92 1.13 2.47 -0.29 1.19 114.38 117.19 1um1 h ARG 76 Ca -0.08 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1um1 h ARG 76 Cb 0.64 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.88 1um1 h ARG 76 CO 0.13 0.09 0.58 0.00 0.56 0.00 0.00 179.97 181.33 1um1 h ALA 77 N 1.65 1.30 -0.20 0.04 0.00 -0.84 0.27 119.26 121.48 1um1 h ALA 77 Ca 0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1um1 h ALA 77 Cb 0.67 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1um1 h ALA 77 CO -0.59 0.63 -0.09 0.28 0.00 0.00 0.00 179.25 179.48 1um1 h VAL 78 N 1.26 1.30 0.00 0.00 2.07 0.20 -2.07 116.25 119.01 1um1 h VAL 78 Ca 0.33 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1um1 h VAL 78 Cb -0.10 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1um1 h VAL 78 CO -0.07 0.34 -0.07 -0.78 0.02 0.00 0.00 177.57 177.01 1um1 h ASP 79 N 0.10 0.00 0.44 0.57 1.82 0.17 1.51 116.42 121.04 1um1 h ASP 79 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1um1 h ASP 79 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1um1 h ASP 79 CO 0.03 0.07 -0.21 -0.07 -1.61 0.00 0.00 179.24 177.44 1um1 h LEU 80 N 0.00 -0.51 -0.58 2.28 3.38 -0.03 -1.19 115.31 118.66 1um1 h LEU 80 Ca -0.00 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1um1 h LEU 80 Cb 0.17 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1um1 h LEU 80 CO 0.01 -0.10 -0.42 0.40 0.09 0.00 0.00 178.44 178.43 1um1 h ILE 81 N -1.03 1.29 0.01 1.22 5.03 -1.02 -2.71 117.51 120.30 1um1 h ILE 81 Ca -0.06 -1.59 0.03 0.00 -0.12 0.00 0.00 64.86 63.12 1um1 h ILE 81 Cb 0.56 1.53 -0.04 0.00 -3.03 0.00 0.00 36.82 35.84 1um1 h ILE 81 CO 0.10 0.51 -0.26 -0.09 -0.68 0.00 0.00 178.15 177.73 1um1 h ARG 82 N 0.54 -0.38 -1.23 2.37 2.43 0.21 -0.59 114.38 117.73 1um1 h ARG 82 Ca 0.04 0.03 -0.35 0.00 -0.81 0.00 0.00 59.98 58.89 1um1 h ARG 82 Cb 0.95 0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 30.41 1um1 h ARG 82 CO 0.09 -0.26 0.45 0.72 -1.51 0.00 0.00 179.97 179.46 1um1 n HIS 83 N -5.37 1.82 0.00 2.20 8.25 -0.45 -4.89 115.22 116.77 1um1 n HIS 83 Ca -0.05 -1.75 0.00 0.00 -0.26 0.00 0.00 57.72 55.66 1um1 n HIS 83 Cb 0.29 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.53 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 -3.34 3.58 -1.41 0.00 -0.23 -4.97 105.19 98.67 1um1 n GLY 84 Ca 0.35 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 0.17 1.64 0.39 -0.02 0.00 -1.26 -5.02 105.19 101.10 1um1 n GLY 85 Ca 0.00 -1.48 0.21 0.00 0.00 0.00 0.00 46.02 44.75 1um1 n GLY 85 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1um1 h LYS 86 N 0.00 0.44 -4.86 1.61 1.63 -1.96 -3.32 116.57 110.11 1um1 h LYS 86 Ca -0.30 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 58.80 1um1 h LYS 86 Cb 1.23 -0.10 -0.34 0.00 -0.60 0.00 0.00 32.23 32.42 1um1 h LYS 86 CO 0.40 0.29 -0.76 0.15 -3.45 0.00 0.00 179.45 176.08 1um1 s LYS 87 N -5.55 2.48 -0.26 1.90 1.02 -1.26 -3.07 119.74 115.00 1um1 s LYS 87 Ca -0.09 -1.21 -0.13 0.00 0.02 0.00 0.00 55.97 54.57 1um1 s LYS 87 Cb 0.25 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1um1 s LYS 87 CO 0.80 -0.53 0.27 -1.64 -0.92 0.00 0.00 175.35 173.33 1um1 s MET 88 N 1.21 4.02 -0.12 1.68 -1.94 0.61 -4.96 119.30 119.80 1um1 s MET 88 Ca -0.05 -0.13 -0.03 0.00 -1.71 0.00 0.00 55.69 53.77 1um1 s MET 88 Cb -0.19 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 1um1 s MET 88 CO -0.04 -0.16 -0.03 1.03 -0.01 0.00 0.00 175.02 175.82 1um1 s ARG 89 N 1.71 3.33 -0.04 2.03 0.52 -1.26 -0.50 118.95 124.74 1um1 s ARG 89 Ca 0.11 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 1um1 s ARG 89 Cb -0.15 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1um1 s ARG 89 CO 0.09 0.45 -0.04 -0.06 0.02 0.00 0.00 175.30 175.77 1um1 s PHE 90 N -0.21 0.62 -0.94 -0.53 0.08 -0.56 0.14 117.98 116.59 1um1 s PHE 90 Ca 0.04 -0.15 -0.17 0.00 0.12 0.00 0.00 56.93 56.78 1um1 s PHE 90 Cb -0.13 -0.57 0.16 0.00 -0.57 0.00 0.00 43.02 41.91 1um1 s PHE 90 CO 0.02 -0.16 1.07 -1.17 -0.10 0.00 0.00 175.22 174.89 1um1 s LEU 91 N 0.84 5.46 0.27 -0.37 2.96 0.86 -0.34 118.68 128.37 1um1 s LEU 91 Ca -0.11 -2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 51.39 1um1 s LEU 91 Cb -0.13 -2.35 -0.07 0.00 0.50 0.00 0.00 46.19 44.13 1um1 s LEU 91 CO -0.00 -0.91 0.61 -0.69 -1.32 0.00 0.00 176.35 174.04 1um1 s VAL 92 N 1.93 4.87 0.16 1.68 1.01 -0.07 0.45 120.40 130.43 1um1 s VAL 92 Ca 0.30 0.56 0.11 0.00 0.00 0.00 0.00 61.98 62.95 1um1 s VAL 92 Cb -0.06 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1um1 s VAL 92 CO -0.09 -0.15 -0.25 0.00 0.00 0.00 0.00 175.10 174.62 1um1 s ALA 93 N -1.92 2.37 -0.63 5.51 0.00 -1.03 0.18 121.76 126.24 1um1 s ALA 93 Ca 0.49 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 1um1 s ALA 93 Cb -0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1um1 s ALA 93 CO 0.22 0.46 1.68 0.21 0.00 0.00 0.00 175.76 178.32 1um1 s LYS 94 N -2.36 2.84 0.52 0.00 2.36 -0.99 -4.28 119.74 117.83 1um1 s LYS 94 Ca 0.16 0.40 -0.07 0.00 -2.55 0.00 0.00 55.97 53.91 1um1 s LYS 94 Cb -0.09 -4.31 0.12 0.00 -1.05 0.00 0.00 37.83 32.50 1um1 s LYS 94 CO 0.08 -2.50 0.71 0.43 1.55 0.00 0.00 175.35 175.61 1um1 n SER 95 N 11.58 0.23 -4.70 1.43 7.64 -1.26 -4.76 113.62 123.78 1um1 n SER 95 Ca 0.15 -1.36 -0.24 0.00 1.01 0.00 0.00 58.87 58.43 1um1 n SER 95 Cb 0.51 -0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 63.11 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 -3.64 4.46 0.05 6.43 1.01 -1.26 -5.05 116.67 118.67 1um1 s ASP 96 Ca 0.41 -0.91 -0.32 0.00 0.71 0.00 0.00 52.55 52.44 1um1 s ASP 96 Cb -0.01 -0.61 -0.18 0.00 1.01 0.00 0.00 42.92 43.12 1um1 s ASP 96 CO 0.29 -0.33 1.50 1.62 0.21 0.00 0.00 175.17 178.46 1um1 h VAL 97 N 1.61 0.27 -0.97 -1.27 3.04 -1.99 -2.81 116.25 114.14 1um1 h VAL 97 Ca -0.43 -0.11 0.14 0.00 -1.01 0.00 0.00 66.70 65.30 1um1 h VAL 97 Cb 1.25 0.31 -0.15 0.00 -2.01 0.00 0.00 31.29 30.69 1um1 h VAL 97 CO 0.66 0.01 -0.41 -0.33 -1.01 0.00 0.00 177.57 176.49 1um1 h GLU 98 N -1.01 -0.01 -0.88 4.17 4.39 -1.98 1.22 114.58 120.46 1um1 h GLU 98 Ca -0.10 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.82 1um1 h GLU 98 Cb 0.74 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.27 1um1 h GLU 98 CO 0.16 -0.01 0.37 1.15 -1.16 0.00 0.00 179.01 179.52 1um1 h THR 99 N -0.01 0.47 -0.17 1.13 2.02 -1.93 0.20 112.91 114.61 1um1 h THR 99 Ca 0.31 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 1um1 h THR 99 Cb 0.57 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1um1 h THR 99 CO -0.96 0.07 -0.11 0.00 0.37 0.00 0.00 175.52 174.89 1um1 h ALA 100 N 1.70 0.25 -0.86 6.16 0.00 0.15 -2.26 119.26 124.40 1um1 h ALA 100 Ca 0.55 -0.30 0.21 0.00 0.00 0.00 0.00 54.91 55.37 1um1 h ALA 100 Cb 1.04 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 1um1 h ALA 100 CO -0.53 0.09 0.02 0.87 0.00 0.00 0.00 179.25 179.70 1um1 h LYS 101 N 0.05 0.07 -0.32 0.00 1.57 0.28 1.64 116.57 119.87 1um1 h LYS 101 Ca 0.04 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1um1 h LYS 101 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1um1 h LYS 101 CO 0.03 0.05 -0.25 0.87 -0.57 0.00 0.00 179.45 179.58 1um1 h LYS 102 N 0.08 0.63 -0.31 3.15 1.57 -1.14 -2.36 116.57 118.19 1um1 h LYS 102 Ca 0.49 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1um1 h LYS 102 Cb 0.94 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1um1 h LYS 102 CO -0.78 0.82 0.06 0.82 -0.57 0.00 0.00 179.45 179.81 1um1 h ILE 103 N 0.55 1.15 -4.05 1.86 1.08 0.27 -2.64 117.51 115.73 1um1 h ILE 103 Ca 0.08 -0.55 -0.53 0.00 -0.39 0.00 0.00 64.86 63.47 1um1 h ILE 103 Cb 0.72 0.86 0.10 0.00 -3.07 0.00 0.00 36.82 35.43 1um1 h ILE 103 CO 0.06 0.19 0.51 -1.00 -0.69 0.00 0.00 178.15 177.22 1um1 s HIS 104 N -5.10 2.55 -0.38 1.37 3.76 0.18 -4.85 115.29 112.82 1um1 s HIS 104 Ca -0.07 1.49 0.22 0.00 -0.15 0.00 0.00 55.06 56.54 1um1 s HIS 104 Cb 0.16 -3.52 0.25 0.00 1.11 0.00 0.00 32.58 30.58 1um1 s HIS 104 CO 0.74 -2.12 1.49 0.66 -0.85 0.00 0.00 174.74 174.66 1um1 h SER 105 N 1.47 0.00 0.00 1.40 4.64 -1.83 -3.45 113.55 115.77 1um1 h SER 105 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1um1 h SER 105 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1um1 h SER 105 CO 0.58 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1um1 n GLY 106 N 1.13 2.27 0.18 -0.77 0.00 -1.26 -5.05 105.19 101.70 1um1 n GLY 106 Ca 0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 1um1 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um1 h PRO 107 N 0.00 0.60 -6.12 1.61 0.13 -1.97 -3.49 132.00 122.77 1um1 h PRO 107 Ca 0.00 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1um1 h PRO 107 Cb 0.00 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1um1 h PRO 107 CO 0.00 1.20 -0.80 0.45 -0.23 0.00 0.00 178.00 178.61 1um1 n SER 108 N -4.05 -6.71 -4.35 1.44 2.88 -1.26 -4.90 113.62 96.67 1um1 n SER 108 Ca -0.10 0.69 -0.41 0.00 -1.33 0.00 0.00 58.87 57.73 1um1 n SER 108 Cb 0.74 -2.18 -0.11 0.00 -0.75 0.00 0.00 64.21 61.92 1um1 n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1um1 s SER 109 N -0.84 5.73 0.00 -3.46 1.04 -1.26 -5.30 113.70 109.61 1um1 s SER 109 Ca -0.01 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1um1 s SER 109 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1um1 s SER 109 CO 0.13 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.52