#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 h SER 2 N 0.00 0.00 0.00 1.61 0.02 -2.10 -3.49 113.55 109.59 1um1 h SER 2 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1um1 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1um1 h SER 2 CO 0.00 0.92 0.00 -0.24 -1.14 0.00 0.00 176.83 176.37 1um1 n SER 3 N -4.58 -1.40 0.00 3.07 2.88 -1.26 -5.17 113.62 107.16 1um1 n SER 3 Ca -0.13 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1um1 n SER 3 Cb 0.36 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.37 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 -1.22 -1.30 1.62 0.46 0.00 -1.26 -5.08 105.19 98.41 1um1 n GLY 4 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.56 0.00 -4.63 1.61 2.88 -1.26 -5.12 113.62 107.66 1um1 n SER 5 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1um1 n SER 5 Cb 0.00 0.17 0.18 0.00 -0.75 0.00 0.00 64.21 63.81 1um1 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1um1 s SER 6 N -3.43 2.53 0.00 -3.46 0.01 -1.26 -5.04 113.70 103.04 1um1 s SER 6 Ca 0.00 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1um1 s SER 6 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1um1 s SER 6 CO 0.00 -3.30 0.00 0.61 0.41 0.00 0.00 173.24 170.96 1um1 n GLY 7 N 0.12 1.93 3.36 3.44 0.00 -1.26 -5.17 105.19 107.61 1um1 n GLY 7 Ca 0.08 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 2.33 0.27 1.61 -0.85 -1.26 -5.06 117.35 114.40 1um1 s TYR 8 Ca 0.00 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.21 1um1 s TYR 8 Cb 0.00 -1.36 -0.03 0.00 0.38 0.00 0.00 41.96 40.95 1um1 s TYR 8 CO 0.00 0.18 0.36 0.08 -1.52 0.00 0.00 175.55 174.65 1um1 s VAL 9 N -0.87 4.72 -0.07 -3.49 1.01 -1.26 -3.13 120.40 117.31 1um1 s VAL 9 Ca 0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1um1 s VAL 9 Cb -0.10 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1um1 s VAL 9 CO 0.03 -0.28 0.18 0.72 0.00 0.00 0.00 175.10 175.75 1um1 s PHE 10 N -2.08 -0.20 0.43 5.22 -0.12 -0.56 -4.97 117.98 115.70 1um1 s PHE 10 Ca 0.37 0.50 -0.13 0.00 -0.05 0.00 0.00 56.93 57.62 1um1 s PHE 10 Cb -0.09 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.27 1um1 s PHE 10 CO 0.29 -0.12 0.83 0.99 -0.05 0.00 0.00 175.22 177.16 1um1 s THR 11 N 0.37 4.70 -0.18 -4.49 2.01 -1.26 -2.59 115.64 114.20 1um1 s THR 11 Ca -0.02 0.83 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 1um1 s THR 11 Cb -0.04 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1um1 s THR 11 CO -0.02 -0.54 0.01 -0.69 -0.69 0.00 0.00 174.62 172.70 1um1 s VAL 12 N -2.41 0.67 -0.36 3.82 1.01 0.60 -4.95 120.40 118.78 1um1 s VAL 12 Ca 0.54 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 1um1 s VAL 12 Cb -0.10 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1um1 s VAL 12 CO 0.30 -0.12 0.19 -1.61 0.00 0.00 0.00 175.10 173.86 1um1 s GLU 13 N 1.80 2.93 0.39 2.72 2.02 -1.26 -0.74 118.70 126.57 1um1 s GLU 13 Ca -0.01 -1.00 0.05 0.00 0.02 0.00 0.00 54.97 54.03 1um1 s GLU 13 Cb -0.17 -3.68 -0.06 0.00 0.10 0.00 0.00 34.13 30.33 1um1 s GLU 13 CO -0.07 -0.63 0.03 -0.51 0.02 0.00 0.00 175.26 174.10 1um1 s LEU 14 N 1.56 2.51 0.13 1.80 1.43 0.15 -4.96 118.68 121.30 1um1 s LEU 14 Ca 0.02 -1.43 0.11 0.00 -1.03 0.00 0.00 54.13 51.80 1um1 s LEU 14 Cb -0.19 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1um1 s LEU 14 CO 0.06 -0.59 -0.27 -0.70 0.23 0.00 0.00 176.35 175.09 1um1 s GLU 15 N -3.79 1.39 0.01 1.70 2.12 -1.26 0.17 118.70 119.04 1um1 s GLU 15 Ca 0.31 -1.35 -0.30 0.00 0.36 0.00 0.00 54.97 53.99 1um1 s GLU 15 Cb 0.08 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.54 1um1 s GLU 15 CO 0.15 0.44 1.28 0.50 -0.54 0.00 0.00 175.26 177.10 1um1 s ARG 16 N -2.08 4.35 0.34 4.30 3.52 0.16 -4.63 118.95 124.91 1um1 s ARG 16 Ca 0.14 1.83 0.04 0.00 -0.13 0.00 0.00 55.73 57.61 1um1 s ARG 16 Cb -0.10 -3.48 0.06 0.00 -1.56 0.00 0.00 34.95 29.87 1um1 s ARG 16 CO 0.06 -0.44 0.48 0.41 -0.81 0.00 0.00 175.30 175.00 1um1 n GLY 17 N 3.43 1.67 0.00 8.12 0.00 -1.26 -4.89 105.19 112.26 1um1 n GLY 17 Ca 0.11 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.78 0.54 -0.02 1.61 -0.04 -1.26 -2.50 135.00 131.55 1um1 n PRO 18 Ca 0.09 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1um1 n PRO 18 Cb 0.34 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 1um1 n PRO 18 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1um1 n SER 19 N -1.14 2.79 -0.08 3.54 3.41 -1.26 -5.03 113.62 115.84 1um1 n SER 19 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1um1 n SER 19 Cb 0.13 1.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1um1 n GLY 20 N 2.09 0.71 7.00 5.00 0.00 -1.04 -4.96 105.19 113.99 1um1 n GLY 20 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.08 0.00 0.00 0.99 4.77 -1.26 -4.73 117.00 116.69 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 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 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 -1.80 2.82 -0.72 0.00 -1.26 -4.50 105.19 99.73 1um1 n GLY 22 Ca 0.00 0.85 -0.23 0.00 0.00 0.00 0.00 46.02 46.64 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 0.79 -0.95 1.61 1.00 -1.26 -1.10 119.30 119.39 1um1 s MET 23 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 55.69 55.57 1um1 s MET 23 Cb 0.00 -1.03 0.23 0.00 0.00 0.00 0.00 34.83 34.03 1um1 s MET 23 CO 0.00 -0.25 0.95 0.20 0.00 0.00 0.00 175.02 175.92 1um1 s GLY 24 N 1.70 2.80 0.33 -0.03 0.00 -0.61 -4.95 107.32 106.56 1um1 s GLY 24 Ca 0.01 -3.47 -0.26 0.00 0.00 0.00 0.00 44.72 41.00 1um1 s GLY 24 CO -0.04 1.38 1.00 1.08 0.00 0.00 0.00 173.10 176.51 1um1 s LEU 25 N -0.09 4.34 0.04 0.66 2.01 -1.26 -0.13 118.68 124.24 1um1 s LEU 25 Ca 0.25 1.98 0.02 0.00 0.01 0.00 0.00 54.13 56.39 1um1 s LEU 25 Cb -0.09 -3.97 -0.02 0.00 0.01 0.00 0.00 46.19 42.12 1um1 s LEU 25 CO -0.08 -0.19 -0.08 -0.51 1.01 0.00 0.00 176.35 176.50 1um1 s ILE 26 N -1.52 0.53 -0.09 -0.59 2.07 -0.71 -4.88 121.20 116.00 1um1 s ILE 26 Ca 0.51 -0.99 -0.29 0.00 -1.41 0.00 0.00 60.65 58.46 1um1 s ILE 26 Cb -0.23 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 41.73 1um1 s ILE 26 CO 0.29 -0.33 1.75 -0.62 -1.91 0.00 0.00 174.94 174.12 1um1 s ASP 27 N -1.43 6.45 0.59 4.50 2.15 -1.26 -2.50 116.67 125.17 1um1 s ASP 27 Ca -0.09 2.13 0.32 0.00 0.43 0.00 0.00 52.55 55.35 1um1 s ASP 27 Cb -0.09 -2.53 1.27 0.00 -0.30 0.00 0.00 42.92 41.26 1um1 s ASP 27 CO 0.00 -1.13 1.55 1.23 -0.17 0.00 0.00 175.17 176.66 1um1 h GLY 28 N 11.10 0.00 1.16 2.66 0.00 -0.35 1.40 103.07 119.04 1um1 h GLY 28 Ca -0.40 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.69 1um1 h GLY 28 CO 0.96 0.00 -0.90 -0.33 0.00 0.00 0.00 176.54 176.27 1um1 h MET 29 N 0.00 0.72 -0.93 4.80 2.86 -1.40 -2.42 114.93 118.56 1um1 h MET 29 Ca 0.51 -0.69 0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1um1 h MET 29 Cb 2.58 0.18 -0.07 0.00 0.06 0.00 0.00 31.60 34.34 1um1 h MET 29 CO -0.01 1.28 0.59 0.45 1.06 0.00 0.00 176.91 180.29 1um1 h HIS 30 N 0.41 0.97 -4.21 -0.22 3.86 0.16 -3.36 115.15 112.77 1um1 h HIS 30 Ca -0.10 0.03 -0.48 0.00 -1.16 0.00 0.00 60.37 58.66 1um1 h HIS 30 Cb 1.55 -0.31 0.03 0.00 1.06 0.00 0.00 27.41 29.74 1um1 h HIS 30 CO 0.10 0.40 0.37 0.95 0.86 0.00 0.00 177.93 180.62 1um1 s THR 31 N -5.82 4.60 0.60 2.45 -4.23 -1.07 -4.90 115.64 107.29 1um1 s THR 31 Ca -0.11 1.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.75 1um1 s THR 31 Cb 0.22 -3.77 0.37 0.00 1.34 0.00 0.00 72.50 70.66 1um1 s THR 31 CO 0.80 -0.82 1.71 -0.74 -0.54 0.00 0.00 174.62 175.03 1um1 h HIS 32 N 0.56 0.00 -1.15 3.99 2.76 -1.78 0.35 115.15 119.89 1um1 h HIS 32 Ca -0.46 0.00 0.33 0.00 -2.20 0.00 0.00 60.37 58.04 1um1 h HIS 32 Cb 1.19 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.05 1um1 h HIS 32 CO 0.64 0.00 0.75 1.25 -1.30 0.00 0.00 177.93 179.27 1um1 h LEU 33 N 0.00 0.33 1.02 0.26 5.85 -1.78 -3.43 115.31 117.56 1um1 h LEU 33 Ca 0.27 0.09 -0.27 0.00 0.84 0.00 0.00 57.88 58.80 1um1 h LEU 33 Cb 1.64 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.61 1um1 h LEU 33 CO -0.00 -0.00 -0.25 0.61 -0.34 0.00 0.00 178.44 178.46 1um1 n GLY 34 N -1.53 1.25 3.75 3.75 0.00 0.12 -4.92 105.19 107.62 1um1 n GLY 34 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.14 3.47 0.70 4.61 0.00 -1.08 -4.77 121.76 122.55 1um1 s ALA 35 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1um1 s ALA 35 Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1um1 s ALA 35 CO 0.00 0.61 1.06 -1.25 0.00 0.00 0.00 175.76 176.18 1um1 s PRO 36 N -2.72 2.94 0.00 0.00 0.04 -1.26 -1.24 135.00 132.76 1um1 s PRO 36 Ca 0.29 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1um1 s PRO 36 Cb -0.11 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1um1 s PRO 36 CO 0.21 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1um1 n GLY 37 N -2.00 2.29 3.67 0.56 0.00 -1.26 -4.78 105.19 103.68 1um1 n GLY 37 Ca 0.07 -1.97 -0.35 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 3.76 0.16 0.99 1.43 -1.26 0.18 118.68 123.93 1um1 s LEU 38 Ca 0.00 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1um1 s LEU 38 Cb 0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1um1 s LEU 38 CO 0.00 0.27 -0.13 -0.31 0.23 0.00 0.00 176.35 176.41 1um1 s TYR 39 N -0.20 1.44 0.12 0.29 1.51 -1.04 -0.89 117.35 118.58 1um1 s TYR 39 Ca 0.07 -0.64 -0.31 0.00 -1.01 0.00 0.00 57.07 55.18 1um1 s TYR 39 Cb -0.12 -0.72 -0.07 0.00 -0.11 0.00 0.00 41.96 40.94 1um1 s TYR 39 CO 0.02 0.18 1.27 0.42 -1.11 0.00 0.00 175.55 176.33 1um1 s ILE 40 N -2.85 3.60 -0.08 2.71 1.01 0.19 -1.74 121.20 124.04 1um1 s ILE 40 Ca 0.16 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.02 1um1 s ILE 40 Cb -0.01 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1um1 s ILE 40 CO 0.03 0.13 -0.06 1.67 0.00 0.00 0.00 174.94 176.70 1um1 n GLN 41 N 3.46 0.43 -4.16 2.79 7.27 0.81 0.54 117.38 128.52 1um1 n GLN 41 Ca 0.08 0.04 -0.12 0.00 0.07 0.00 0.00 57.00 57.08 1um1 n GLN 41 Cb 0.44 -1.16 -0.09 0.00 2.41 0.00 0.00 30.24 31.85 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 -2.16 0.00 -0.30 1.69 -4.23 -1.04 -4.82 115.64 104.78 1um1 s THR 42 Ca -0.10 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1um1 s THR 42 Cb 0.03 -2.44 0.13 0.00 1.34 0.00 0.00 72.50 71.55 1um1 s THR 42 CO 0.19 0.00 0.24 -0.76 -0.54 0.00 0.00 174.62 173.75 1um1 s LEU 43 N -3.15 0.09 0.24 4.79 1.43 -1.26 -1.57 118.68 119.26 1um1 s LEU 43 Ca 0.35 -1.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.12 1um1 s LEU 43 Cb 0.05 0.18 -0.16 0.00 0.03 0.00 0.00 46.19 46.29 1um1 s LEU 43 CO 0.13 -0.39 0.65 -0.11 0.23 0.00 0.00 176.35 176.86 1um1 n LEU 44 N 5.16 -0.35 -4.78 1.79 0.00 -0.25 -4.88 117.00 113.68 1um1 n LEU 44 Ca -0.02 1.13 -0.36 0.00 0.00 0.00 0.00 56.01 56.76 1um1 n LEU 44 Cb 0.44 -1.05 -0.04 0.00 0.00 0.00 0.00 43.42 42.77 1um1 n LEU 44 CO 0.03 -2.56 0.73 -2.16 0.00 0.00 0.00 177.39 173.44 1um1 s PRO 45 N -1.19 4.09 -0.05 1.96 0.04 -1.26 -2.95 135.00 135.63 1um1 s PRO 45 Ca 0.62 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1um1 s PRO 45 Cb -0.84 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1um1 s PRO 45 CO 0.57 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.82 1um1 n GLY 46 N 0.23 0.14 3.93 0.56 0.00 -1.26 -4.96 105.19 103.83 1um1 n GLY 46 Ca 0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.02 4.70 0.15 1.61 1.04 -1.15 -4.90 113.70 113.13 1um1 s SER 47 Ca 0.00 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.86 1um1 s SER 47 Cb 0.00 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 1um1 s SER 47 CO 0.00 -1.68 1.37 1.55 0.98 0.00 0.00 173.24 175.46 1um1 h PRO 48 N -0.68 0.37 0.00 4.02 0.13 -1.86 0.19 132.00 134.17 1um1 h PRO 48 Ca -0.44 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.29 1um1 h PRO 48 Cb 1.31 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1um1 h PRO 48 CO 0.59 1.02 -0.19 0.00 -0.23 0.00 0.00 178.00 179.20 1um1 h ALA 49 N 0.86 1.53 0.13 -0.56 0.00 -1.89 -0.99 119.26 118.35 1um1 h ALA 49 Ca -0.05 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 1um1 h ALA 49 Cb 1.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1um1 h ALA 49 CO 0.14 0.24 -1.88 0.00 0.00 0.00 0.00 179.25 177.75 1um1 h ALA 50 N 1.81 0.37 -0.43 0.00 0.00 -1.75 -3.33 119.26 115.93 1um1 h ALA 50 Ca -0.00 -1.33 0.12 0.00 0.00 0.00 0.00 54.91 53.70 1um1 h ALA 50 Cb 0.37 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1um1 h ALA 50 CO 0.02 1.20 0.31 0.00 0.00 0.00 0.00 179.25 180.79 1um1 h ALA 51 N 0.03 2.40 0.85 0.00 0.00 -0.30 -1.91 119.26 120.33 1um1 h ALA 51 Ca -0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1um1 h ALA 51 Cb 1.98 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.81 1um1 h ALA 51 CO 0.08 -0.53 -0.41 0.22 0.00 0.00 0.00 179.25 178.61 1um1 h ASP 52 N 0.00 -0.97 0.00 0.00 1.82 -1.30 -3.48 116.42 112.49 1um1 h ASP 52 Ca 0.20 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1um1 h ASP 52 Cb 0.81 0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1um1 h ASP 52 CO -0.00 -0.63 0.00 0.61 -1.61 0.00 0.00 179.24 177.61 1um1 n GLY 53 N -1.18 2.79 0.34 -0.78 0.00 -0.72 -4.89 105.19 100.74 1um1 n GLY 53 Ca -0.14 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.07 -6.01 1.61 1.12 -1.88 -3.39 114.38 105.76 1um1 h ARG 54 Ca 0.00 0.01 -0.81 0.00 -1.11 0.00 0.00 59.98 58.06 1um1 h ARG 54 Cb 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 1um1 h ARG 54 CO 0.00 -0.05 1.03 1.28 -3.11 0.00 0.00 179.97 179.12 1um1 n LEU 55 N -4.78 1.11 -4.43 3.80 4.32 -1.26 -4.90 117.00 110.86 1um1 n LEU 55 Ca 0.00 0.91 -0.21 0.00 -0.02 0.00 0.00 56.01 56.69 1um1 n LEU 55 Cb 0.22 -0.92 -0.10 0.00 -1.62 0.00 0.00 43.42 41.00 1um1 n LEU 55 CO -0.09 -0.78 -0.38 -0.44 -1.22 0.00 0.00 177.39 174.48 1um1 s SER 56 N 4.64 2.83 0.07 -1.43 0.01 -1.26 -4.90 113.70 113.65 1um1 s SER 56 Ca 1.12 -1.16 -0.31 0.00 1.31 0.00 0.00 55.95 56.91 1um1 s SER 56 Cb -1.44 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 64.54 1um1 s SER 56 CO 0.72 -0.30 1.26 -0.76 0.41 0.00 0.00 173.24 174.57 1um1 s LEU 57 N -3.44 4.36 0.00 2.44 1.43 -1.26 -2.61 118.68 119.60 1um1 s LEU 57 Ca 0.29 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1um1 s LEU 57 Cb 0.03 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1um1 s LEU 57 CO 0.12 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.77 1um1 n GLY 58 N 3.31 2.76 3.40 -3.19 0.00 0.19 -4.61 105.19 107.06 1um1 n GLY 58 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.98 -4.04 1.61 8.00 -1.07 -4.46 116.55 114.61 1um1 n ASP 59 Ca 0.00 0.46 -0.31 0.00 0.71 0.00 0.00 54.79 55.65 1um1 n ASP 59 Cb 0.00 -1.17 -0.16 0.00 -0.02 0.00 0.00 41.12 39.77 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 -2.99 2.39 0.49 -1.24 3.52 -1.26 0.54 118.95 120.39 1um1 s ARG 60 Ca 0.60 -0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 55.32 1um1 s ARG 60 Cb -0.29 -2.27 -0.08 0.00 -1.56 0.00 0.00 34.95 30.75 1um1 s ARG 60 CO 0.64 -0.27 1.04 0.42 -0.81 0.00 0.00 175.30 176.31 1um1 s ILE 61 N 1.42 3.80 0.00 4.11 -1.09 -0.07 -2.01 121.20 127.36 1um1 s ILE 61 Ca 0.04 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1um1 s ILE 61 Cb -0.14 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1um1 s ILE 61 CO -0.11 -0.25 0.00 0.18 -1.23 0.00 0.00 174.94 173.53 1um1 n LEU 62 N -1.01 1.47 -4.20 2.97 4.77 0.52 -4.57 117.00 116.95 1um1 n LEU 62 Ca 0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1um1 n LEU 62 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1um1 n LEU 62 CO 0.40 0.21 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.69 1um1 s GLU 63 N -1.91 0.96 -0.22 3.23 2.02 -1.19 -1.20 118.70 120.38 1um1 s GLU 63 Ca 0.00 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.53 1um1 s GLU 63 Cb 0.00 -0.28 0.08 0.00 0.10 0.00 0.00 34.13 34.03 1um1 s GLU 63 CO 0.00 -0.05 0.10 0.08 0.02 0.00 0.00 175.26 175.41 1um1 s VAL 64 N -3.60 0.03 -1.70 2.63 1.01 -0.69 -1.18 120.40 116.90 1um1 s VAL 64 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1um1 s VAL 64 Cb 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1um1 s VAL 64 CO -0.01 -0.45 0.00 0.59 0.00 0.00 0.00 175.10 175.23 1um1 n ASN 65 N 5.22 -5.26 -0.46 3.32 3.02 0.47 -2.13 115.26 119.45 1um1 n ASN 65 Ca -0.07 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1um1 n ASN 65 Cb 0.46 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 -0.92 0.89 2.80 7.41 0.00 -1.26 -4.99 105.19 109.12 1um1 n GLY 66 Ca -0.20 -0.52 -0.27 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 -2.77 2.59 -0.17 1.61 0.15 -0.90 -5.09 113.70 109.12 1um1 s SER 67 Ca 0.00 -0.60 -0.34 0.00 0.70 0.00 0.00 55.95 55.71 1um1 s SER 67 Cb 0.00 -0.68 -0.11 0.00 -1.71 0.00 0.00 66.02 63.53 1um1 s SER 67 CO 0.00 -0.24 1.99 -0.24 1.20 0.00 0.00 173.24 175.96 1um1 n SER 68 N 5.01 3.14 -3.47 5.45 2.88 -1.26 -1.70 113.62 123.66 1um1 n SER 68 Ca -0.10 0.75 -0.37 0.00 -1.33 0.00 0.00 58.87 57.82 1um1 n SER 68 Cb 0.48 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 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 8.02 6.56 0.00 2.46 7.94 -0.34 -4.73 117.00 136.91 1um1 n LEU 69 Ca 0.28 -5.46 0.00 0.00 -1.11 0.00 0.00 56.01 49.71 1um1 n LEU 69 Cb 0.30 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.24 1um1 n LEU 69 CO 0.73 2.12 0.00 0.18 -1.11 0.00 0.00 177.39 179.31 1um1 n LEU 70 N -0.05 0.11 -1.94 -1.96 4.77 -1.26 -4.63 117.00 112.04 1um1 n LEU 70 Ca 0.42 0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 1um1 n LEU 70 Cb 0.30 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1um1 n LEU 70 CO 0.48 -0.12 1.26 0.61 -1.33 0.00 0.00 177.39 178.29 1um1 n GLY 71 N 2.27 3.88 3.36 -0.72 0.00 -1.26 -4.85 105.19 107.87 1um1 n GLY 71 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.55 2.61 0.00 0.99 1.43 -1.26 -5.12 118.68 115.78 1um1 s LEU 72 Ca 0.33 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1um1 s LEU 72 Cb 0.24 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1um1 s LEU 72 CO -0.04 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1um1 n GLY 73 N 3.34 -2.69 0.09 -3.19 0.00 -1.26 -4.76 105.19 96.73 1um1 n GLY 73 Ca -0.18 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.28 0.90 0.08 1.61 4.19 -1.26 -2.71 117.16 118.69 1um1 n TYR 74 Ca 0.00 0.30 -0.03 0.00 3.31 0.00 0.00 57.90 61.48 1um1 n TYR 74 Cb 0.00 -1.06 -0.06 0.00 0.49 0.00 0.00 39.34 38.70 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 0.00 0.23 2.98 3.38 -1.98 -1.79 115.31 118.12 1um1 h LEU 75 Ca -0.18 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.46 1um1 h LEU 75 Cb 1.59 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.37 1um1 h LEU 75 CO 0.04 0.77 -1.50 0.03 0.09 0.00 0.00 178.44 177.87 1um1 h ARG 76 N 0.00 0.49 -0.03 1.13 2.47 -1.92 -2.67 114.38 113.84 1um1 h ARG 76 Ca -0.05 -0.84 -0.02 0.00 -1.26 0.00 0.00 59.98 57.81 1um1 h ARG 76 Cb 1.63 0.31 -0.00 0.00 -1.65 0.00 0.00 29.97 30.26 1um1 h ARG 76 CO 0.09 1.40 -0.05 0.00 0.56 0.00 0.00 179.97 181.97 1um1 h ALA 77 N 0.21 0.05 -0.23 0.04 0.00 -1.60 -2.43 119.26 115.30 1um1 h ALA 77 Ca -0.26 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1um1 h ALA 77 Cb 2.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 1um1 h ALA 77 CO 0.26 -0.15 -0.11 -0.24 0.00 0.00 0.00 179.25 179.00 1um1 h VAL 78 N -0.41 0.64 -0.60 0.00 3.04 -1.45 -0.71 116.25 116.77 1um1 h VAL 78 Ca 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.81 1um1 h VAL 78 Cb 0.58 0.64 -0.09 0.00 -2.01 0.00 0.00 31.29 30.41 1um1 h VAL 78 CO 0.01 0.00 0.08 -0.78 -1.01 0.00 0.00 177.57 175.87 1um1 h ASP 79 N -0.09 -0.11 -0.29 3.17 3.58 -1.49 1.14 116.42 122.33 1um1 h ASP 79 Ca 0.12 0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.76 1um1 h ASP 79 Cb 0.28 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 1um1 h ASP 79 CO -0.29 -0.04 -0.10 -0.07 -2.88 0.00 0.00 179.24 175.86 1um1 h LEU 80 N 0.20 -0.35 -1.43 2.28 3.38 -0.67 1.52 115.31 120.23 1um1 h LEU 80 Ca 0.31 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.33 1um1 h LEU 80 Cb 0.49 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1um1 h LEU 80 CO -0.45 -0.13 -0.27 0.40 0.09 0.00 0.00 178.44 178.08 1um1 h ILE 81 N -0.04 0.95 0.13 1.22 5.03 0.40 -0.77 117.51 124.42 1um1 h ILE 81 Ca 0.15 -1.02 -0.01 0.00 -0.12 0.00 0.00 64.86 63.86 1um1 h ILE 81 Cb 0.26 1.59 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1um1 h ILE 81 CO -0.33 0.27 -0.06 0.03 -0.68 0.00 0.00 178.15 177.38 1um1 h ARG 82 N 0.00 -0.16 -1.23 2.37 3.08 0.44 -3.22 114.38 115.66 1um1 h ARG 82 Ca -0.00 0.01 -0.39 0.00 0.07 0.00 0.00 59.98 59.67 1um1 h ARG 82 Cb 0.57 0.04 -0.19 0.00 0.08 0.00 0.00 29.97 30.47 1um1 h ARG 82 CO 0.04 0.31 0.50 0.72 -1.07 0.00 0.00 179.97 180.47 1um1 n HIS 83 N -4.89 1.99 0.00 3.04 8.25 0.49 -4.79 115.22 119.31 1um1 n HIS 83 Ca -0.08 -1.91 0.00 0.00 -0.26 0.00 0.00 57.72 55.47 1um1 n HIS 83 Cb 0.28 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.45 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 -0.22 -1.14 0.00 -1.41 0.00 -0.31 -4.93 105.19 97.18 1um1 n GLY 84 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.76 5.11 -0.02 0.00 -1.26 -5.01 105.19 102.26 1um1 n GLY 85 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -3.47 1.61 4.81 -1.26 -4.69 118.16 115.16 1um1 n LYS 86 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1um1 n LYS 86 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1um1 n LYS 86 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1um1 s LYS 87 N 0.00 3.65 -0.17 1.64 -2.85 -1.26 -0.66 119.74 120.09 1um1 s LYS 87 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.98 1um1 s LYS 87 Cb 0.00 -2.71 0.02 0.00 -2.06 0.00 0.00 37.83 33.08 1um1 s LYS 87 CO 0.00 0.31 -0.19 -1.64 0.10 0.00 0.00 175.35 173.93 1um1 s MET 88 N -3.17 2.85 -0.12 1.78 -1.94 0.46 -4.87 119.30 114.30 1um1 s MET 88 Ca 0.43 -0.78 -0.00 0.00 -1.71 0.00 0.00 55.69 53.63 1um1 s MET 88 Cb -0.11 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 1um1 s MET 88 CO 0.27 -0.22 -0.11 0.50 -0.01 0.00 0.00 175.02 175.45 1um1 s ARG 89 N 1.33 3.28 0.00 2.03 3.52 -1.26 0.34 118.95 128.19 1um1 s ARG 89 Ca 0.05 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 1um1 s ARG 89 Cb -0.13 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1um1 s ARG 89 CO -0.13 0.30 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.50 1um1 s PHE 90 N 0.13 0.99 -0.79 5.12 0.08 0.08 0.18 117.98 123.77 1um1 s PHE 90 Ca -0.05 -0.22 -0.09 0.00 0.12 0.00 0.00 56.93 56.69 1um1 s PHE 90 Cb -0.15 -0.62 0.20 0.00 -0.57 0.00 0.00 43.02 41.88 1um1 s PHE 90 CO 0.04 -0.01 0.69 -1.17 -0.10 0.00 0.00 175.22 174.67 1um1 s LEU 91 N -0.43 6.13 0.01 -0.37 2.96 -0.33 -0.29 118.68 126.37 1um1 s LEU 91 Ca 0.03 -2.90 -0.01 0.00 -0.22 0.00 0.00 54.13 51.03 1um1 s LEU 91 Cb -0.05 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1um1 s LEU 91 CO -0.00 -0.45 0.15 0.54 -1.32 0.00 0.00 176.35 175.27 1um1 s VAL 92 N -0.15 5.17 0.62 1.68 0.11 -1.07 0.20 120.40 126.97 1um1 s VAL 92 Ca 0.19 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1um1 s VAL 92 Cb -0.13 -3.43 0.11 0.00 -1.53 0.00 0.00 36.38 31.39 1um1 s VAL 92 CO -0.07 0.27 0.86 0.00 -3.33 0.00 0.00 175.10 172.83 1um1 n ALA 93 N 0.82 1.08 -2.98 1.54 0.00 -0.85 -1.49 120.51 118.62 1um1 n ALA 93 Ca -0.10 -2.13 -0.44 0.00 0.00 0.00 0.00 53.44 50.77 1um1 n ALA 93 Cb 0.52 0.54 -0.04 0.00 0.00 0.00 0.00 19.45 20.47 1um1 n ALA 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1um1 s LYS 94 N -4.79 3.17 0.16 0.00 2.36 -1.18 -4.40 119.74 115.05 1um1 s LYS 94 Ca 0.64 -1.22 -0.02 0.00 -2.55 0.00 0.00 55.97 52.82 1um1 s LYS 94 Cb -0.05 -4.35 0.04 0.00 -1.05 0.00 0.00 37.83 32.42 1um1 s LYS 94 CO 0.41 -1.69 0.21 0.43 1.55 0.00 0.00 175.35 176.26 1um1 n SER 95 N 6.87 0.06 -4.64 1.43 7.64 -1.26 -4.92 113.62 118.79 1um1 n SER 95 Ca -0.01 -1.10 -0.30 0.00 1.01 0.00 0.00 58.87 58.46 1um1 n SER 95 Cb 0.45 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.79 3.84 0.06 6.43 1.11 -1.26 -5.05 116.67 120.00 1um1 s ASP 96 Ca 0.12 -1.56 -0.18 0.00 0.18 0.00 0.00 52.55 51.11 1um1 s ASP 96 Cb -0.00 0.23 -0.13 0.00 1.07 0.00 0.00 42.92 44.08 1um1 s ASP 96 CO 0.09 -0.73 1.35 0.58 1.18 0.00 0.00 175.17 177.63 1um1 h VAL 97 N 1.55 1.34 -0.31 -1.27 2.07 -1.99 -3.17 116.25 114.47 1um1 h VAL 97 Ca -0.43 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 65.69 1um1 h VAL 97 Cb 1.29 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 1um1 h VAL 97 CO 0.74 0.45 -0.42 -0.33 0.02 0.00 0.00 177.57 178.03 1um1 h GLU 98 N 0.17 -0.36 -0.81 1.57 5.08 -1.99 0.65 114.58 118.89 1um1 h GLU 98 Ca 0.02 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.60 1um1 h GLU 98 Cb 0.83 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.03 1um1 h GLU 98 CO 0.06 -0.24 0.10 1.15 -1.00 0.00 0.00 179.01 179.08 1um1 h THR 99 N -0.38 0.33 -0.16 1.13 2.02 -1.94 0.31 112.91 114.22 1um1 h THR 99 Ca 0.12 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1um1 h THR 99 Cb 0.59 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1um1 h THR 99 CO -0.51 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 175.39 1um1 h ALA 100 N 1.74 0.13 -0.88 6.16 0.00 -0.91 -1.21 119.26 124.29 1um1 h ALA 100 Ca 0.47 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.56 1um1 h ALA 100 Cb 0.89 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1um1 h ALA 100 CO -0.66 -0.46 -0.41 0.87 0.00 0.00 0.00 179.25 178.59 1um1 h LYS 101 N 0.03 -0.05 -0.88 0.00 1.57 0.11 1.66 116.57 119.02 1um1 h LYS 101 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1um1 h LYS 101 Cb 0.10 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1um1 h LYS 101 CO -0.14 -0.04 0.58 0.87 -0.57 0.00 0.00 179.45 180.16 1um1 h LYS 102 N -0.06 1.10 0.00 3.15 1.57 -0.97 0.21 116.57 121.58 1um1 h LYS 102 Ca 0.29 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1um1 h LYS 102 Cb 0.57 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1um1 h LYS 102 CO -0.90 0.73 -0.09 0.82 -0.57 0.00 0.00 179.45 179.45 1um1 h ILE 103 N 1.14 0.35 -4.32 1.86 1.08 0.32 -3.05 117.51 114.88 1um1 h ILE 103 Ca 0.34 -0.51 -0.49 0.00 -0.39 0.00 0.00 64.86 63.81 1um1 h ILE 103 Cb -0.04 1.38 0.10 0.00 -3.07 0.00 0.00 36.82 35.19 1um1 h ILE 103 CO -0.09 0.08 0.35 -1.00 -0.69 0.00 0.00 178.15 176.80 1um1 s HIS 104 N -4.00 2.94 -0.12 1.37 3.76 0.29 -4.95 115.29 114.58 1um1 s HIS 104 Ca -0.02 1.19 0.02 0.00 -0.15 0.00 0.00 55.06 56.11 1um1 s HIS 104 Cb 0.12 -3.07 -0.00 0.00 1.11 0.00 0.00 32.58 30.74 1um1 s HIS 104 CO 0.55 -1.60 -0.20 -1.12 -0.85 0.00 0.00 174.74 171.52 1um1 s SER 105 N -3.94 3.35 0.00 1.40 0.01 -1.26 -4.84 113.70 108.42 1um1 s SER 105 Ca 0.60 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1um1 s SER 105 Cb -0.14 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1um1 s SER 105 CO 0.54 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.94 1um1 n GLY 106 N 3.69 2.43 3.56 3.44 0.00 -1.26 -4.92 105.19 112.13 1um1 n GLY 106 Ca -0.19 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.73 2.99 0.12 1.61 0.04 -1.26 -4.88 135.00 129.88 1um1 s PRO 107 Ca 0.00 0.25 -0.32 0.00 0.04 0.00 0.00 61.00 60.98 1um1 s PRO 107 Cb 0.00 -4.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.19 1um1 s PRO 107 CO 0.00 -2.34 1.57 0.66 0.04 0.00 0.00 177.00 176.93 1um1 h SER 108 N 12.25 -1.49 -3.41 6.66 4.64 -1.96 -3.39 113.55 126.85 1um1 h SER 108 Ca -0.27 0.18 -0.66 0.00 -0.47 0.00 0.00 61.79 60.57 1um1 h SER 108 Cb 1.10 0.58 -0.20 0.00 -0.31 0.00 0.00 62.40 63.58 1um1 h SER 108 CO 1.23 -0.48 -0.67 -0.55 -0.87 0.00 0.00 176.83 175.49 1um1 s SER 109 N -4.80 4.81 0.00 4.97 0.15 -1.26 -5.27 113.70 112.29 1um1 s SER 109 Ca -0.16 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1um1 s SER 109 Cb 0.08 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 1um1 s SER 109 CO 0.63 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.93