#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 0.82 -0.16 1.61 0.15 -1.26 -5.14 113.70 109.73 1um1 s SER 2 Ca 0.00 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 1um1 s SER 2 Cb 0.00 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1um1 s SER 2 CO 0.00 0.07 0.03 -0.55 1.20 0.00 0.00 173.24 173.99 1um1 s SER 3 N -0.24 5.40 -0.78 5.45 0.15 -1.26 -5.05 113.70 117.37 1um1 s SER 3 Ca 0.02 0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 1um1 s SER 3 Cb -0.03 -1.84 0.12 0.00 -1.71 0.00 0.00 66.02 62.56 1um1 s SER 3 CO -0.00 0.22 0.95 -0.83 1.20 0.00 0.00 173.24 174.78 1um1 s GLY 4 N 0.07 1.88 -0.33 9.45 0.00 -1.26 -4.96 107.32 112.17 1um1 s GLY 4 Ca 0.04 -2.53 0.01 0.00 0.00 0.00 0.00 44.72 42.23 1um1 s GLY 4 CO 0.01 1.82 0.10 -0.56 0.00 0.00 0.00 173.10 174.48 1um1 s SER 5 N 3.46 4.15 0.20 1.64 0.01 -1.26 -5.10 113.70 116.79 1um1 s SER 5 Ca 0.24 -1.86 -0.31 0.00 1.31 0.00 0.00 55.95 55.32 1um1 s SER 5 Cb -0.13 -1.05 -0.10 0.00 0.21 0.00 0.00 66.02 64.95 1um1 s SER 5 CO -0.02 -0.39 1.54 -0.44 0.41 0.00 0.00 173.24 174.34 1um1 s SER 6 N 1.32 6.58 0.00 2.44 0.01 -1.26 -4.80 113.70 117.99 1um1 s SER 6 Ca 0.11 2.66 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1um1 s SER 6 Cb -0.18 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1um1 s SER 6 CO -0.19 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1um1 n GLY 7 N 3.25 2.76 3.44 3.44 0.00 -1.26 -5.05 105.19 111.78 1um1 n GLY 7 Ca 0.12 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.83 2.26 0.26 1.61 -0.85 -1.26 -5.00 117.35 111.54 1um1 s TYR 8 Ca 0.00 -0.35 0.06 0.00 -0.52 0.00 0.00 57.07 56.25 1um1 s TYR 8 Cb 0.00 -1.04 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 1um1 s TYR 8 CO 0.00 0.61 0.33 0.08 -1.52 0.00 0.00 175.55 175.05 1um1 s VAL 9 N -2.20 4.77 -0.12 -3.49 1.01 -1.26 -2.31 120.40 116.80 1um1 s VAL 9 Ca 0.26 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1um1 s VAL 9 Cb -0.06 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1um1 s VAL 9 CO 0.12 -0.30 0.32 0.72 0.00 0.00 0.00 175.10 175.96 1um1 s PHE 10 N -2.07 -0.38 0.46 5.22 -0.12 -0.51 -4.96 117.98 115.63 1um1 s PHE 10 Ca 0.36 0.90 -0.16 0.00 -0.05 0.00 0.00 56.93 57.97 1um1 s PHE 10 Cb -0.09 0.13 -0.08 0.00 -0.63 0.00 0.00 43.02 42.35 1um1 s PHE 10 CO 0.28 -0.21 0.92 0.99 -0.05 0.00 0.00 175.22 177.16 1um1 s THR 11 N 0.56 4.55 -0.20 -4.49 2.01 -1.26 -2.76 115.64 114.05 1um1 s THR 11 Ca -0.03 1.16 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 1um1 s THR 11 Cb -0.05 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 68.84 1um1 s THR 11 CO -0.03 -0.53 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.67 1um1 s VAL 12 N -2.42 0.92 -0.39 3.82 1.01 0.41 -4.96 120.40 118.79 1um1 s VAL 12 Ca 0.58 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1um1 s VAL 12 Cb -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1um1 s VAL 12 CO 0.26 -0.13 0.26 -1.61 0.00 0.00 0.00 175.10 173.88 1um1 s GLU 13 N 1.68 2.88 0.39 2.72 2.02 -1.26 -1.48 118.70 125.65 1um1 s GLU 13 Ca -0.02 -1.07 0.06 0.00 0.02 0.00 0.00 54.97 53.96 1um1 s GLU 13 Cb -0.17 -3.86 -0.08 0.00 0.10 0.00 0.00 34.13 30.12 1um1 s GLU 13 CO -0.07 -0.74 0.02 -0.51 0.02 0.00 0.00 175.26 173.98 1um1 s LEU 14 N 1.61 2.69 -0.03 1.80 1.43 -0.53 -5.01 118.68 120.64 1um1 s LEU 14 Ca 0.03 -1.37 0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1um1 s LEU 14 Cb -0.19 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1um1 s LEU 14 CO 0.08 -0.49 -0.25 -0.70 0.23 0.00 0.00 176.35 175.22 1um1 s GLU 15 N -3.76 2.27 -0.26 1.70 2.12 -1.26 -0.45 118.70 119.07 1um1 s GLU 15 Ca 0.35 -0.91 -0.28 0.00 0.36 0.00 0.00 54.97 54.50 1um1 s GLU 15 Cb 0.10 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 1um1 s GLU 15 CO 0.17 0.51 2.24 0.50 -0.54 0.00 0.00 175.26 178.14 1um1 s ARG 16 N -0.48 3.00 0.13 4.30 3.52 0.22 -4.61 118.95 125.03 1um1 s ARG 16 Ca 0.06 1.94 -0.02 0.00 -0.13 0.00 0.00 55.73 57.58 1um1 s ARG 16 Cb -0.11 -4.40 0.03 0.00 -1.56 0.00 0.00 34.95 28.91 1um1 s ARG 16 CO 0.00 -2.25 0.13 0.41 -0.81 0.00 0.00 175.30 172.78 1um1 n GLY 17 N 5.79 -2.14 0.10 8.12 0.00 -1.26 -4.82 105.19 110.98 1um1 n GLY 17 Ca 0.31 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.72 0.18 -0.00 1.61 -0.04 -1.26 -2.63 135.00 131.14 1um1 n PRO 18 Ca 0.02 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 1um1 n PRO 18 Cb 0.06 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 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 -2.11 1.16 -0.18 3.54 7.64 -1.26 -5.01 113.62 117.41 1um1 n SER 19 Ca 0.04 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1um1 n SER 19 Cb 0.32 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.91 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 1.51 0.61 6.63 0.23 0.00 -1.08 -4.94 105.19 108.16 1um1 n GLY 20 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.18 0.00 0.00 0.99 4.77 -1.26 -4.80 117.00 116.52 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 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 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 -1.86 2.82 -0.72 0.00 -1.26 -4.39 105.19 99.78 1um1 n GLY 22 Ca 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 46.02 46.69 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 0.02 -1.05 1.61 1.00 -1.26 -2.44 119.30 117.18 1um1 s MET 23 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 55.69 56.04 1um1 s MET 23 Cb 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 34.83 34.79 1um1 s MET 23 CO 0.00 -0.27 1.06 0.20 0.00 0.00 0.00 175.02 176.02 1um1 s GLY 24 N 1.91 2.98 0.58 -0.03 0.00 -0.85 -4.96 107.32 106.97 1um1 s GLY 24 Ca -0.00 -3.65 -0.16 0.00 0.00 0.00 0.00 44.72 40.91 1um1 s GLY 24 CO -0.05 1.40 1.04 1.08 0.00 0.00 0.00 173.10 176.58 1um1 s LEU 25 N -0.54 3.50 -0.02 0.66 2.01 -1.26 -0.21 118.68 122.82 1um1 s LEU 25 Ca 0.29 1.76 -0.15 0.00 0.01 0.00 0.00 54.13 56.04 1um1 s LEU 25 Cb -0.09 -4.53 0.02 0.00 0.01 0.00 0.00 46.19 41.61 1um1 s LEU 25 CO -0.08 -1.07 0.31 -0.51 1.01 0.00 0.00 176.35 176.01 1um1 s ILE 26 N -2.52 0.05 -0.05 -0.59 2.07 -0.93 -4.84 121.20 114.39 1um1 s ILE 26 Ca 0.62 -0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 59.13 1um1 s ILE 26 Cb -0.15 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1um1 s ILE 26 CO 0.37 -0.24 1.37 1.51 -1.91 0.00 0.00 174.94 176.04 1um1 s ASP 27 N -1.21 6.88 0.62 4.50 -4.77 -1.26 -1.44 116.67 119.99 1um1 s ASP 27 Ca -0.13 1.98 0.24 0.00 -3.30 0.00 0.00 52.55 51.35 1um1 s ASP 27 Cb -0.05 -2.55 1.13 0.00 -1.09 0.00 0.00 42.92 40.36 1um1 s ASP 27 CO 0.04 -0.73 1.60 1.23 0.70 0.00 0.00 175.17 178.01 1um1 h GLY 28 N 8.90 0.00 1.88 2.12 0.00 0.16 1.44 103.07 117.57 1um1 h GLY 28 Ca -0.35 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1um1 h GLY 28 CO 0.92 0.00 -0.56 -0.33 0.00 0.00 0.00 176.54 176.57 1um1 h MET 29 N 0.00 0.13 0.03 4.80 2.86 -1.47 0.24 114.93 121.52 1um1 h MET 29 Ca 0.21 -0.08 -0.23 0.00 -2.06 0.00 0.00 59.70 57.54 1um1 h MET 29 Cb 1.68 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.35 1um1 h MET 29 CO -0.00 0.66 -0.99 0.45 1.06 0.00 0.00 176.91 178.09 1um1 h HIS 30 N 0.10 0.50 -3.98 -0.22 -0.00 0.17 -3.40 115.15 108.31 1um1 h HIS 30 Ca -0.00 -0.29 -0.47 0.00 -0.00 0.00 0.00 60.37 59.61 1um1 h HIS 30 Cb 1.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.38 1um1 h HIS 30 CO 0.01 1.13 0.27 0.95 -0.00 0.00 0.00 177.93 180.29 1um1 s THR 31 N -3.12 4.54 0.56 2.45 -4.23 -0.98 -4.87 115.64 109.99 1um1 s THR 31 Ca -0.05 1.18 0.47 0.00 -1.18 0.00 0.00 61.69 62.12 1um1 s THR 31 Cb 0.09 -3.66 0.70 0.00 1.34 0.00 0.00 72.50 70.97 1um1 s THR 31 CO 0.86 -0.43 1.62 -0.74 -0.54 0.00 0.00 174.62 175.39 1um1 h HIS 32 N 1.59 0.00 -0.98 3.99 2.76 -1.71 0.54 115.15 121.34 1um1 h HIS 32 Ca -0.48 0.00 0.33 0.00 -2.20 0.00 0.00 60.37 58.02 1um1 h HIS 32 Cb 1.18 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 29.96 1um1 h HIS 32 CO 0.62 0.00 0.27 1.25 -1.30 0.00 0.00 177.93 178.77 1um1 h LEU 33 N 0.00 -0.08 2.26 0.26 5.85 -1.70 -3.44 115.31 118.45 1um1 h LEU 33 Ca 0.85 0.26 -0.40 0.00 0.84 0.00 0.00 57.88 59.43 1um1 h LEU 33 Cb 3.44 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 44.77 1um1 h LEU 33 CO -0.01 -0.36 -0.46 0.61 -0.34 0.00 0.00 178.44 177.89 1um1 n GLY 34 N -1.39 0.33 3.41 3.75 0.00 0.19 -4.97 105.19 106.53 1um1 n GLY 34 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.87 2.48 0.22 4.61 0.00 -1.02 -4.80 121.76 120.38 1um1 s ALA 35 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1um1 s ALA 35 Cb 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1um1 s ALA 35 CO 0.00 0.42 1.10 -1.25 0.00 0.00 0.00 175.76 176.03 1um1 s PRO 36 N -2.64 4.62 0.00 0.00 0.04 -1.26 -1.45 135.00 134.30 1um1 s PRO 36 Ca 0.20 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1um1 s PRO 36 Cb -0.08 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1um1 s PRO 36 CO 0.09 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1um1 n GLY 37 N 1.68 3.84 3.85 0.56 0.00 -1.26 -4.86 105.19 109.00 1um1 n GLY 37 Ca 0.01 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 4.41 -0.03 0.99 1.43 -1.26 0.16 118.68 124.39 1um1 s LEU 38 Ca 0.00 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1um1 s LEU 38 Cb 0.00 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.50 1um1 s LEU 38 CO 0.00 0.26 0.06 -0.31 0.23 0.00 0.00 176.35 176.59 1um1 s TYR 39 N -1.23 -0.07 0.24 0.29 1.51 -0.52 -2.73 117.35 114.85 1um1 s TYR 39 Ca 0.27 0.18 -0.31 0.00 -1.01 0.00 0.00 57.07 56.21 1um1 s TYR 39 Cb -0.15 -0.00 -0.14 0.00 -0.11 0.00 0.00 41.96 41.56 1um1 s TYR 39 CO 0.15 -0.05 1.36 -0.89 -1.11 0.00 0.00 175.55 175.01 1um1 n ILE 40 N 3.20 1.06 -0.02 2.71 5.41 0.25 -2.19 119.36 129.78 1um1 n ILE 40 Ca -0.14 -0.27 -0.03 0.00 1.00 0.00 0.00 62.75 63.31 1um1 n ILE 40 Cb 0.58 -1.40 -0.02 0.00 -0.71 0.00 0.00 39.64 38.09 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 1.84 0.16 -4.16 0.38 7.27 0.71 0.15 117.38 123.72 1um1 n GLN 41 Ca 0.11 0.02 -0.11 0.00 0.07 0.00 0.00 57.00 57.10 1um1 n GLN 41 Cb 0.31 -1.08 -0.10 0.00 2.41 0.00 0.00 30.24 31.78 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 -2.08 0.06 -0.27 1.69 -4.23 -1.08 -4.82 115.64 104.91 1um1 s THR 42 Ca -0.06 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1um1 s THR 42 Cb 0.01 -2.23 0.12 0.00 1.34 0.00 0.00 72.50 71.74 1um1 s THR 42 CO 0.10 -0.26 0.24 -0.76 -0.54 0.00 0.00 174.62 173.39 1um1 s LEU 43 N -3.09 -0.02 0.68 4.79 1.43 -1.26 -2.00 118.68 119.20 1um1 s LEU 43 Ca 0.30 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1um1 s LEU 43 Cb 0.07 0.27 -0.09 0.00 0.03 0.00 0.00 46.19 46.47 1um1 s LEU 43 CO 0.06 -0.38 0.18 -0.11 0.23 0.00 0.00 176.35 176.32 1um1 n LEU 44 N 5.30 -1.31 0.04 1.79 7.94 -1.02 -4.90 117.00 124.83 1um1 n LEU 44 Ca -0.04 0.58 -0.02 0.00 -1.11 0.00 0.00 56.01 55.41 1um1 n LEU 44 Cb 0.46 -1.05 -0.01 0.00 0.53 0.00 0.00 43.42 43.35 1um1 n LEU 44 CO 0.03 -3.95 0.13 1.55 -1.11 0.00 0.00 177.39 174.04 1um1 h PRO 45 N -0.27 -0.15 -2.00 1.96 0.13 -1.97 -3.34 132.00 126.36 1um1 h PRO 45 Ca -0.44 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.48 1um1 h PRO 45 Cb 1.38 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.46 1um1 h PRO 45 CO 0.40 -0.10 -0.29 0.41 -0.23 0.00 0.00 178.00 178.20 1um1 n GLY 46 N 1.11 3.16 3.42 1.56 0.00 -1.26 -4.63 105.19 108.54 1um1 n GLY 46 Ca -0.02 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 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 1.80 3.07 0.12 1.61 1.04 -1.25 -4.94 113.70 115.15 1um1 s SER 47 Ca 0.65 -1.07 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 1um1 s SER 47 Cb 0.32 -0.22 -0.10 0.00 0.10 0.00 0.00 66.02 66.12 1um1 s SER 47 CO -0.03 -0.13 1.31 1.55 0.98 0.00 0.00 173.24 176.92 1um1 h PRO 48 N 2.36 0.54 -0.48 4.02 0.13 -1.84 -0.81 132.00 135.92 1um1 h PRO 48 Ca -0.39 -0.52 0.08 0.00 -0.87 0.00 0.00 66.00 64.30 1um1 h PRO 48 Cb 1.24 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1um1 h PRO 48 CO 0.63 1.15 0.33 0.00 -0.23 0.00 0.00 178.00 179.88 1um1 h ALA 49 N 0.67 2.06 0.14 -0.56 0.00 -1.87 0.33 119.26 120.03 1um1 h ALA 49 Ca -0.08 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1um1 h ALA 49 Cb 1.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1um1 h ALA 49 CO 0.16 -0.17 -1.39 0.00 0.00 0.00 0.00 179.25 177.85 1um1 h ALA 50 N 1.75 0.12 -0.99 0.00 0.00 -1.74 -3.32 119.26 115.08 1um1 h ALA 50 Ca 0.22 -1.03 0.22 0.00 0.00 0.00 0.00 54.91 54.32 1um1 h ALA 50 Cb 0.48 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1um1 h ALA 50 CO -0.05 0.79 0.62 0.00 0.00 0.00 0.00 179.25 180.62 1um1 h ALA 51 N 0.01 1.97 0.51 0.00 0.00 -0.18 -0.91 119.26 120.66 1um1 h ALA 51 Ca -0.29 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1um1 h ALA 51 Cb 1.82 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1um1 h ALA 51 CO 0.10 -0.34 -0.49 0.22 0.00 0.00 0.00 179.25 178.74 1um1 h ASP 52 N 0.56 -1.34 0.00 0.00 1.82 -1.07 -3.47 116.42 112.92 1um1 h ASP 52 Ca 0.56 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1um1 h ASP 52 Cb 1.16 0.44 0.00 0.00 0.68 0.00 0.00 39.33 41.61 1um1 h ASP 52 CO -0.31 -0.65 0.00 0.61 -1.61 0.00 0.00 179.24 177.28 1um1 n GLY 53 N -1.55 3.06 0.33 -0.78 0.00 -0.35 -4.90 105.19 101.01 1um1 n GLY 53 Ca -0.12 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.30 -6.00 1.61 1.12 -1.87 -3.39 114.38 105.54 1um1 h ARG 54 Ca 0.00 0.02 -0.79 0.00 -1.11 0.00 0.00 59.98 58.10 1um1 h ARG 54 Cb 0.00 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.00 1um1 h ARG 54 CO 0.00 -0.20 1.16 1.28 -3.11 0.00 0.00 179.97 179.10 1um1 n LEU 55 N -4.65 0.96 -4.62 3.80 4.32 -1.26 -4.90 117.00 110.65 1um1 n LEU 55 Ca -0.03 0.80 -0.26 0.00 -0.02 0.00 0.00 56.01 56.50 1um1 n LEU 55 Cb 0.25 -0.92 -0.10 0.00 -1.62 0.00 0.00 43.42 41.04 1um1 n LEU 55 CO 0.01 -0.78 -0.30 -0.44 -1.22 0.00 0.00 177.39 174.67 1um1 s SER 56 N 5.27 4.00 -0.06 -1.43 0.01 -1.26 -4.90 113.70 115.33 1um1 s SER 56 Ca 1.15 -1.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 1um1 s SER 56 Cb -1.46 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1um1 s SER 56 CO 0.69 -0.35 1.14 -0.76 0.41 0.00 0.00 173.24 174.38 1um1 s LEU 57 N -3.72 4.28 0.00 2.44 1.43 -1.26 -2.71 118.68 119.14 1um1 s LEU 57 Ca 0.35 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1um1 s LEU 57 Cb 0.05 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1um1 s LEU 57 CO 0.19 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1um1 n GLY 58 N 3.27 1.19 3.76 -3.19 0.00 0.39 -4.63 105.19 105.98 1um1 n GLY 58 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.85 -4.83 1.61 9.92 -1.10 -4.39 116.55 121.61 1um1 n ASP 59 Ca 0.00 1.19 -0.36 0.00 -0.53 0.00 0.00 54.79 55.09 1um1 n ASP 59 Cb 0.00 -1.61 -0.07 0.00 -0.64 0.00 0.00 41.12 38.80 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 -1.34 3.67 0.30 -1.24 3.52 -1.26 0.85 118.95 123.44 1um1 s ARG 60 Ca 0.58 -0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.98 1um1 s ARG 60 Cb -0.48 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.59 1um1 s ARG 60 CO 0.57 0.63 0.57 0.42 -0.81 0.00 0.00 175.30 176.68 1um1 s ILE 61 N -0.61 5.00 0.00 4.11 -1.09 -1.11 -1.92 121.20 125.58 1um1 s ILE 61 Ca 0.13 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1um1 s ILE 61 Cb -0.12 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1um1 s ILE 61 CO 0.02 -0.33 0.00 0.18 -1.23 0.00 0.00 174.94 173.59 1um1 n LEU 62 N -0.93 1.31 -4.07 2.97 4.77 0.53 -4.76 117.00 116.83 1um1 n LEU 62 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1um1 n LEU 62 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1um1 n LEU 62 CO 0.48 0.17 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.71 1um1 s GLU 63 N -1.86 0.54 -0.25 3.23 2.02 -1.18 -0.22 118.70 120.98 1um1 s GLU 63 Ca 0.00 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 1um1 s GLU 63 Cb 0.00 -0.18 0.08 0.00 0.10 0.00 0.00 34.13 34.13 1um1 s GLU 63 CO 0.00 0.01 0.05 0.08 0.02 0.00 0.00 175.26 175.42 1um1 s VAL 64 N -1.87 0.81 -1.71 2.63 1.01 -0.81 -0.18 120.40 120.29 1um1 s VAL 64 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1um1 s VAL 64 Cb -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1um1 s VAL 64 CO -0.01 -0.39 0.00 0.59 0.00 0.00 0.00 175.10 175.29 1um1 n ASN 65 N 4.91 -5.11 -0.24 3.32 3.02 0.52 -2.31 115.26 119.37 1um1 n ASN 65 Ca -0.07 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1um1 n ASN 65 Cb 0.45 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -0.76 0.80 2.77 7.41 0.00 -1.26 -4.95 105.19 109.19 1um1 n GLY 66 Ca -0.16 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.10 2.70 -0.21 1.61 0.01 -0.98 -5.09 113.70 109.64 1um1 s SER 67 Ca 0.00 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.27 1um1 s SER 67 Cb 0.00 -0.64 -0.08 0.00 0.21 0.00 0.00 66.02 65.50 1um1 s SER 67 CO 0.00 -0.26 2.13 -1.20 0.41 0.00 0.00 173.24 174.31 1um1 n SER 68 N 5.02 3.08 -2.99 2.44 7.64 -1.26 -1.92 113.62 125.63 1um1 n SER 68 Ca -0.09 0.47 -0.34 0.00 1.01 0.00 0.00 58.87 59.91 1um1 n SER 68 Cb 0.48 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.22 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1um1 n LEU 69 N 9.86 7.22 -4.60 -3.43 0.00 0.70 -4.85 117.00 121.91 1um1 n LEU 69 Ca 0.31 -4.57 -0.39 0.00 0.00 0.00 0.00 56.01 51.36 1um1 n LEU 69 Cb 0.36 -1.25 -0.10 0.00 0.00 0.00 0.00 43.42 42.43 1um1 n LEU 69 CO 0.70 1.88 -0.01 -0.76 0.00 0.00 0.00 177.39 179.21 1um1 s LEU 70 N -2.58 4.06 -0.89 -1.96 1.43 -1.26 -4.25 118.68 113.22 1um1 s LEU 70 Ca 0.55 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1um1 s LEU 70 Cb 0.30 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1um1 s LEU 70 CO -0.19 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1um1 n GLY 71 N 4.81 0.02 3.71 -3.19 0.00 -1.26 -4.87 105.19 104.40 1um1 n GLY 71 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.67 4.37 0.41 0.99 1.43 -1.26 -4.99 118.68 114.95 1um1 s LEU 72 Ca 0.00 1.68 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 1um1 s LEU 72 Cb 0.00 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1um1 s LEU 72 CO 0.00 -0.27 1.27 0.61 0.23 0.00 0.00 176.35 178.19 1um1 n GLY 73 N 2.92 0.53 0.46 -3.19 0.00 -1.26 -4.63 105.19 100.01 1um1 n GLY 73 Ca 0.06 0.22 0.27 0.00 0.00 0.00 0.00 46.02 46.57 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 2.16 0.00 0.02 1.61 3.20 -1.99 1.29 116.97 123.26 1um1 h TYR 74 Ca -0.47 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.18 1um1 h TYR 74 Cb 1.29 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 1um1 h TYR 74 CO 0.48 0.00 -1.01 -0.07 -1.64 0.00 0.00 178.16 175.92 1um1 h LEU 75 N 0.00 0.10 -0.12 2.82 3.38 -1.98 -0.93 115.31 118.59 1um1 h LEU 75 Ca 0.39 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 1um1 h LEU 75 Cb 1.73 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.45 1um1 h LEU 75 CO -0.00 1.04 -0.48 0.03 0.09 0.00 0.00 178.44 179.12 1um1 h ARG 76 N 0.02 0.54 0.21 1.13 2.47 0.12 -0.80 114.38 118.06 1um1 h ARG 76 Ca -0.04 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1um1 h ARG 76 Cb 1.74 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 30.14 1um1 h ARG 76 CO 0.14 1.04 -0.10 0.00 0.56 0.00 0.00 179.97 181.62 1um1 h ALA 77 N 0.50 -0.28 -1.00 0.04 0.00 -0.82 -2.03 119.26 115.67 1um1 h ALA 77 Ca -0.03 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1um1 h ALA 77 Cb 1.12 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1um1 h ALA 77 CO 0.10 -0.41 0.63 -0.24 0.00 0.00 0.00 179.25 179.33 1um1 h VAL 78 N -0.78 0.84 -0.87 0.00 3.04 -1.26 0.33 116.25 117.55 1um1 h VAL 78 Ca -0.03 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 1um1 h VAL 78 Cb 0.51 -0.15 -0.04 0.00 -2.01 0.00 0.00 31.29 29.60 1um1 h VAL 78 CO 0.05 0.17 0.51 -0.78 -1.01 0.00 0.00 177.57 176.50 1um1 h ASP 79 N 0.91 1.06 0.58 3.17 1.82 -1.07 1.50 116.42 124.39 1um1 h ASP 79 Ca 0.53 -0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 57.07 1um1 h ASP 79 Cb 0.64 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 40.39 1um1 h ASP 79 CO -0.31 0.83 -0.28 -0.07 -1.61 0.00 0.00 179.24 177.81 1um1 h LEU 80 N 1.21 -0.66 -1.80 2.28 3.38 0.34 1.27 115.31 121.33 1um1 h LEU 80 Ca 0.31 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1um1 h LEU 80 Cb -0.02 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1um1 h LEU 80 CO -0.06 -0.39 -0.08 0.40 0.09 0.00 0.00 178.44 178.41 1um1 h ILE 81 N -0.90 0.27 0.03 1.22 5.03 -0.86 -1.89 117.51 120.41 1um1 h ILE 81 Ca -0.08 -0.54 -0.00 0.00 -0.12 0.00 0.00 64.86 64.12 1um1 h ILE 81 Cb 0.64 1.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.85 1um1 h ILE 81 CO 0.13 0.07 -0.02 -0.09 -0.68 0.00 0.00 178.15 177.57 1um1 h ARG 82 N 0.00 -0.04 -1.28 2.37 2.43 0.27 -3.27 114.38 114.85 1um1 h ARG 82 Ca -0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.86 1um1 h ARG 82 Cb 0.41 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.82 1um1 h ARG 82 CO 0.01 0.64 0.41 0.72 -1.51 0.00 0.00 179.97 180.23 1um1 n HIS 83 N -4.73 1.64 0.00 2.20 8.25 0.43 -4.88 115.22 118.13 1um1 n HIS 83 Ca -0.08 -1.69 0.00 0.00 -0.26 0.00 0.00 57.72 55.69 1um1 n HIS 83 Cb 0.34 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 -0.00 -3.51 0.00 -1.41 0.00 -0.73 -4.94 105.19 94.60 1um1 n GLY 84 Ca 0.32 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.08 2.46 0.36 -0.02 0.00 -1.26 -5.03 105.19 101.78 1um1 n GLY 85 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.01 -5.98 1.61 1.63 -1.98 -3.39 116.57 108.45 1um1 h LYS 86 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1um1 h LYS 86 Cb 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.52 1um1 h LYS 86 CO 0.00 -0.00 -0.61 -1.59 -3.45 0.00 0.00 179.45 173.79 1um1 s LYS 87 N -6.17 2.05 -0.04 1.90 -2.85 -1.26 0.73 119.74 114.09 1um1 s LYS 87 Ca -0.15 -1.79 -0.02 0.00 -1.00 0.00 0.00 55.97 53.02 1um1 s LYS 87 Cb 0.24 -1.89 0.03 0.00 -2.06 0.00 0.00 37.83 34.15 1um1 s LYS 87 CO 0.76 0.11 0.04 -1.64 0.10 0.00 0.00 175.35 174.72 1um1 s MET 88 N -3.72 0.11 -0.10 1.78 -1.94 0.40 -4.74 119.30 111.10 1um1 s MET 88 Ca 0.35 0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 54.59 1um1 s MET 88 Cb 0.01 -0.59 -0.03 0.00 2.01 0.00 0.00 34.83 36.22 1um1 s MET 88 CO 0.19 -0.30 -0.01 1.03 -0.01 0.00 0.00 175.02 175.93 1um1 s ARG 89 N 1.95 3.07 -0.00 2.03 0.52 -1.26 -1.46 118.95 123.81 1um1 s ARG 89 Ca 0.03 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1um1 s ARG 89 Cb -0.12 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 1um1 s ARG 89 CO -0.03 0.63 -0.04 -0.06 0.02 0.00 0.00 175.30 175.81 1um1 s PHE 90 N -0.68 0.38 -0.69 -0.53 0.08 -0.55 0.19 117.98 116.18 1um1 s PHE 90 Ca 0.11 -0.09 -0.07 0.00 0.12 0.00 0.00 56.93 57.00 1um1 s PHE 90 Cb -0.12 -0.24 0.18 0.00 -0.57 0.00 0.00 43.02 42.27 1um1 s PHE 90 CO 0.02 -0.01 0.56 -1.17 -0.10 0.00 0.00 175.22 174.52 1um1 s LEU 91 N -0.16 5.80 0.14 -0.37 2.96 0.74 -0.44 118.68 127.35 1um1 s LEU 91 Ca 0.01 -2.77 0.03 0.00 -0.22 0.00 0.00 54.13 51.18 1um1 s LEU 91 Cb -0.02 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1um1 s LEU 91 CO -0.00 -0.45 0.25 0.54 -1.32 0.00 0.00 176.35 175.37 1um1 s VAL 92 N 0.06 5.18 0.51 1.68 0.11 -1.11 0.20 120.40 127.02 1um1 s VAL 92 Ca 0.17 -0.73 0.08 0.00 -2.93 0.00 0.00 61.98 58.57 1um1 s VAL 92 Cb -0.17 -3.65 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1um1 s VAL 92 CO -0.05 -0.07 0.57 0.00 -3.33 0.00 0.00 175.10 172.22 1um1 s ALA 93 N -1.72 4.48 -0.70 1.54 0.00 -0.81 -1.42 121.76 123.13 1um1 s ALA 93 Ca 0.34 -1.79 -0.25 0.00 0.00 0.00 0.00 51.96 50.25 1um1 s ALA 93 Cb -0.11 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.85 1um1 s ALA 93 CO 0.27 -0.53 1.15 0.21 0.00 0.00 0.00 175.76 176.86 1um1 s LYS 94 N -4.41 3.17 0.94 0.00 2.36 -0.98 -4.49 119.74 116.33 1um1 s LYS 94 Ca 0.51 -0.46 -0.15 0.00 -2.55 0.00 0.00 55.97 53.32 1um1 s LYS 94 Cb -0.05 -4.19 0.19 0.00 -1.05 0.00 0.00 37.83 32.73 1um1 s LYS 94 CO 0.31 -2.00 1.30 -1.12 1.55 0.00 0.00 175.35 175.39 1um1 s SER 95 N 3.69 3.26 0.52 1.43 0.01 -1.26 -4.87 113.70 116.47 1um1 s SER 95 Ca 0.30 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1um1 s SER 95 Cb -0.11 -0.39 -0.00 0.00 0.21 0.00 0.00 66.02 65.73 1um1 s SER 95 CO 0.13 -2.65 0.02 -1.81 0.41 0.00 0.00 173.24 169.34 1um1 s ASP 96 N -4.86 4.05 -0.04 2.44 1.01 -1.26 -5.07 116.67 112.94 1um1 s ASP 96 Ca 0.73 -1.71 -0.21 0.00 0.71 0.00 0.00 52.55 52.06 1um1 s ASP 96 Cb -0.04 0.69 -0.16 0.00 1.01 0.00 0.00 42.92 44.42 1um1 s ASP 96 CO 0.52 -0.94 0.91 0.58 0.21 0.00 0.00 175.17 176.46 1um1 h VAL 97 N 1.32 0.80 -0.81 -1.27 2.07 -1.99 -3.17 116.25 113.20 1um1 h VAL 97 Ca -0.43 -1.04 0.17 0.00 0.82 0.00 0.00 66.70 66.22 1um1 h VAL 97 Cb 1.32 1.32 -0.15 0.00 -1.52 0.00 0.00 31.29 32.26 1um1 h VAL 97 CO 0.71 0.20 -0.17 -0.33 0.02 0.00 0.00 177.57 178.00 1um1 h GLU 98 N -0.85 0.01 -0.54 1.57 5.08 -1.98 0.37 114.58 118.24 1um1 h GLU 98 Ca -0.03 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1um1 h GLU 98 Cb 0.52 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.66 1um1 h GLU 98 CO 0.04 0.01 -0.20 1.15 -1.00 0.00 0.00 179.01 179.01 1um1 h THR 99 N 0.01 0.36 -0.36 1.13 2.02 -1.96 0.49 112.91 114.59 1um1 h THR 99 Ca 0.40 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.56 1um1 h THR 99 Cb 0.63 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1um1 h THR 99 CO -0.81 0.00 0.16 0.00 0.37 0.00 0.00 175.52 175.24 1um1 h ALA 100 N 1.35 0.47 -1.17 6.16 0.00 -0.42 -1.73 119.26 123.92 1um1 h ALA 100 Ca 0.25 -0.12 0.36 0.00 0.00 0.00 0.00 54.91 55.40 1um1 h ALA 100 Cb 0.46 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 1um1 h ALA 100 CO -0.59 0.05 0.74 0.87 0.00 0.00 0.00 179.25 180.32 1um1 h LYS 101 N 0.45 0.22 0.06 0.00 1.57 0.15 1.64 116.57 120.67 1um1 h LYS 101 Ca 0.12 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 1um1 h LYS 101 Cb 0.15 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1um1 h LYS 101 CO -0.01 0.15 -1.13 0.87 -0.57 0.00 0.00 179.45 178.76 1um1 h LYS 102 N 0.23 0.57 -0.04 3.15 1.57 -0.47 -3.13 116.57 118.44 1um1 h LYS 102 Ca 0.72 -0.70 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1um1 h LYS 102 Cb 2.05 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 34.57 1um1 h LYS 102 CO -0.40 1.29 -0.19 0.82 -0.57 0.00 0.00 179.45 180.39 1um1 h ILE 103 N 0.28 1.16 -3.89 1.86 1.08 0.28 -2.66 117.51 115.62 1um1 h ILE 103 Ca -0.14 -0.75 -0.52 0.00 -0.39 0.00 0.00 64.86 63.06 1um1 h ILE 103 Cb 1.79 1.35 0.06 0.00 -3.07 0.00 0.00 36.82 36.95 1um1 h ILE 103 CO 0.21 0.22 0.57 -1.00 -0.69 0.00 0.00 178.15 177.46 1um1 s HIS 104 N -4.60 3.12 0.33 1.37 3.76 0.29 -4.76 115.29 114.80 1um1 s HIS 104 Ca -0.04 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1um1 s HIS 104 Cb 0.15 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.31 1um1 s HIS 104 CO 0.71 -1.51 0.00 0.45 -0.85 0.00 0.00 174.74 173.54 1um1 n SER 105 N 0.59 -4.63 -3.32 1.40 2.88 -1.26 -4.80 113.62 104.48 1um1 n SER 105 Ca 0.01 0.99 -0.14 0.00 -1.33 0.00 0.00 58.87 58.41 1um1 n SER 105 Cb 0.44 -2.48 -0.06 0.00 -0.75 0.00 0.00 64.21 61.35 1um1 n SER 105 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1um1 s GLY 106 N -4.69 -0.23 0.45 0.46 0.00 -1.26 -4.59 107.32 97.45 1um1 s GLY 106 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.68 1um1 s GLY 106 CO 0.00 2.90 1.05 2.56 0.00 0.00 0.00 173.10 179.61 1um1 s PRO 107 N 1.43 3.97 -0.80 2.90 0.04 -1.26 -4.97 135.00 136.30 1um1 s PRO 107 Ca 0.18 1.44 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1um1 s PRO 107 Cb -0.13 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1um1 s PRO 107 CO -0.04 -0.30 1.27 0.45 0.04 0.00 0.00 177.00 178.43 1um1 s SER 108 N -1.78 6.26 0.20 6.66 0.15 -1.26 -4.97 113.70 118.95 1um1 s SER 108 Ca 0.63 -0.81 -0.32 0.00 0.70 0.00 0.00 55.95 56.15 1um1 s SER 108 Cb -0.19 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.46 1um1 s SER 108 CO 0.24 -1.68 1.71 -0.44 1.20 0.00 0.00 173.24 174.26 1um1 s SER 109 N 4.01 6.41 0.00 5.45 0.01 -1.26 -5.32 113.70 123.00 1um1 s SER 109 Ca 0.36 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.45 1um1 s SER 109 Cb -0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1um1 s SER 109 CO 0.08 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.38